3-bromoaniline;N-(3-bromophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyclopropylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;methane;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

C61H66Br2N12O2 — CID 160954985

IUPAC3-bromoaniline;N-(3-bromophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyclopropylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;methane;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESC.C.Nc1cccc(Br)c1.O=C(Nc1cccc(Br)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(Nc1cccc(C2CC2)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1.c1ccc(-c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C22H22N4O.C19H17BrN4O.C12H13N3.C6H6BrN.2CH4/c27-22(23-18-8-4-7-17(13-18)15-9-10-15)26-12-11-20-19(14-26)21(25-24-20)16-5-2-1-3-6-16;20-14-7-4-8-15(11-14)21-19(25)24-10-9-17-16(12-24)18(23-22-17)13-5-2-1-3-6-13;1-2-4-9(5-3-1)12-10-8-13-7-6-11(10)14-15-12;7-5-2-1-3-6(8)4-5;;/h1-8,13,15H,9-12,14H2,(H,23,27)(H,24,25);1-8,11H,9-10,12H2,(H,21,25)(H,22,23);1-5,13H,6-8H2,(H,14,15);1-4H,8H2;2*1H4
InChIKeySWGPLVNBDWNGJT-UHFFFAOYSA-N
MW1159.09 g/mol
LogP14.00
Rot. Bonds6

About 3-bromoaniline;N-(3-bromophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyclopropylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;methane;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

3-bromoaniline;N-(3-bromophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyclopropylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;methane;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 160954985) has the molecular formula C61H66Br2N12O2 and a molecular weight of 1159.09 g/mol. Its IUPAC name is 3-bromoaniline;N-(3-bromophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyclopropylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;methane;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-bromoaniline;N-(3-bromophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyclopropylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;methane;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID160954985
Molecular FormulaC61H66Br2N12O2
Molecular Weight1159.09 g/mol
Exact Mass1156.38
IUPAC Name3-bromoaniline;N-(3-bromophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyclopropylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;methane;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESC.C.Nc1cccc(Br)c1.O=C(Nc1cccc(Br)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(Nc1cccc(C2CC2)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1.c1ccc(-c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C22H22N4O.C19H17BrN4O.C12H13N3.C6H6BrN.2CH4/c27-22(23-18-8-4-7-17(13-18)15-9-10-15)26-12-11-20-19(14-26)21(25-24-20)16-5-2-1-3-6-16;20-14-7-4-8-15(11-14)21-19(25)24-10-9-17-16(12-24)18(23-22-17)13-5-2-1-3-6-13;1-2-4-9(5-3-1)12-10-8-13-7-6-11(10)14-15-12;7-5-2-1-3-6(8)4-5;;/h1-8,13,15H,9-12,14H2,(H,23,27)(H,24,25);1-8,11H,9-10,12H2,(H,21,25)(H,22,23);1-5,13H,6-8H2,(H,14,15);1-4H,8H2;2*1H4
InChIKeySWGPLVNBDWNGJT-UHFFFAOYSA-N
XLogP14.00
TPSA188.77 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001159.09
LogP ≤ 514.00
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-bromoaniline;N-(3-bromophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyclopropylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;methane;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine with MolForge

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Related Compounds

N,3-diphenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435107
N-(4-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442894
N-(3-chlorophenyl)-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442798
N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 158788522
3-phenyl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one;3-phenylpropanoic acid;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 161221963
oxolan-3-yl-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 45233016
N-(oxolan-2-ylmethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 53185476
N-(3-aminophenyl)-5-oxo-1,4-diazepane-1-carboxamide
CID 55134304
N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442811
4-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)benzoic acid
CID 110540362
3-phenyl-N-(1,2-thiazol-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442719
3-(3-bicyclo[3.1.0]hex-1(5)-enyl)-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121443459

Frequently Asked Questions

What is the IUPAC name of 3-bromoaniline;N-(3-bromophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyclopropylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;methane;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-bromoaniline;N-(3-bromophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyclopropylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;methane;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 160954985) is 3-bromoaniline;N-(3-bromophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyclopropylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;methane;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-bromoaniline;N-(3-bromophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyclopropylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;methane;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-bromoaniline;N-(3-bromophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyclopropylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;methane;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is C.C.Nc1cccc(Br)c1.O=C(Nc1cccc(Br)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(Nc1cccc(C2CC2)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1.c1ccc(-c2n[nH]c3c2CNCC3)cc1.
What is the InChIKey of 3-bromoaniline;N-(3-bromophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyclopropylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;methane;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is SWGPLVNBDWNGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O.C19H17BrN4O.C12H13N3.C6H6BrN.2CH4/c27-22(23-18-8-4-7-17(13-18)15-9-10-15)26-12-11-20-19(14-26)21(25-24-20)16-5-2-1-3-6-16;20-14-7-4-8-15(11-14)21-19(25)24-10-9-17-16(12-24)18(23-22-17)13-5-2-1-3-6-13;1-2-4-9(5-3-1)12-10-8-13-7-6-11(10)14-15-12;7-5-2-1-3-6(8)4-5;;/h1-8,13,15H,9-12,14H2,(H,23,27)(H,24,25);1-8,11H,9-10,12H2,(H,21,25)(H,22,23);1-5,13H,6-8H2,(H,14,15);1-4H,8H2;2*1H4.
What are the key properties of 3-bromoaniline;N-(3-bromophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyclopropylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;methane;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
3-bromoaniline;N-(3-bromophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyclopropylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;methane;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 1159.09 g/mol, XLogP of 14.00, 6 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoaniline;N-(3-bromophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyclopropylphenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;methane;3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 160954985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).