chloro(iodo)methane;N-(3-chlorophenyl)-3-(1-methylcyclopropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C34H38Cl3IN8O2 — CID 157436893

IUPACchloro(iodo)methane;N-(3-chlorophenyl)-3-(1-methylcyclopropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESC=C(C)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.CC1(c2n[nH]c3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)CC1.ClCI
InChIInChI=1S/C17H19ClN4O.C16H17ClN4O.CH2ClI/c1-17(6-7-17)15-13-10-22(8-5-14(13)20-21-15)16(23)19-12-4-2-3-11(18)9-12;1-10(2)15-13-9-21(7-6-14(13)19-20-15)16(22)18-12-5-3-4-11(17)8-12;2-1-3/h2-4,9H,5-8,10H2,1H3,(H,19,23)(H,20,21);3-5,8H,1,6-7,9H2,2H3,(H,18,22)(H,19,20);1H2
InChIKeyBRFDTZYMNAQYRP-UHFFFAOYSA-N
MW823.99 g/mol
LogP9.01
Rot. Bonds4

About chloro(iodo)methane;N-(3-chlorophenyl)-3-(1-methylcyclopropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

chloro(iodo)methane;N-(3-chlorophenyl)-3-(1-methylcyclopropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 157436893) has the molecular formula C34H38Cl3IN8O2 and a molecular weight of 823.99 g/mol. Its IUPAC name is chloro(iodo)methane;N-(3-chlorophenyl)-3-(1-methylcyclopropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Namechloro(iodo)methane;N-(3-chlorophenyl)-3-(1-methylcyclopropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID157436893
Molecular FormulaC34H38Cl3IN8O2
Molecular Weight823.99 g/mol
Exact Mass822.12
IUPAC Namechloro(iodo)methane;N-(3-chlorophenyl)-3-(1-methylcyclopropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESC=C(C)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.CC1(c2n[nH]c3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)CC1.ClCI
InChIInChI=1S/C17H19ClN4O.C16H17ClN4O.CH2ClI/c1-17(6-7-17)15-13-10-22(8-5-14(13)20-21-15)16(23)19-12-4-2-3-11(18)9-12;1-10(2)15-13-9-21(7-6-14(13)19-20-15)16(22)18-12-5-3-4-11(17)8-12;2-1-3/h2-4,9H,5-8,10H2,1H3,(H,19,23)(H,20,21);3-5,8H,1,6-7,9H2,2H3,(H,18,22)(H,19,20);1H2
InChIKeyBRFDTZYMNAQYRP-UHFFFAOYSA-N
XLogP9.01
TPSA122.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.99
LogP ≤ 59.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze chloro(iodo)methane;N-(3-chlorophenyl)-3-(1-methylcyclopropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of chloro(iodo)methane;N-(3-chlorophenyl)-3-(1-methylcyclopropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of chloro(iodo)methane;N-(3-chlorophenyl)-3-(1-methylcyclopropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 157436893) is chloro(iodo)methane;N-(3-chlorophenyl)-3-(1-methylcyclopropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for chloro(iodo)methane;N-(3-chlorophenyl)-3-(1-methylcyclopropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for chloro(iodo)methane;N-(3-chlorophenyl)-3-(1-methylcyclopropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is C=C(C)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.CC1(c2n[nH]c3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)CC1.ClCI.
What is the InChIKey of chloro(iodo)methane;N-(3-chlorophenyl)-3-(1-methylcyclopropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is BRFDTZYMNAQYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O.C16H17ClN4O.CH2ClI/c1-17(6-7-17)15-13-10-22(8-5-14(13)20-21-15)16(23)19-12-4-2-3-11(18)9-12;1-10(2)15-13-9-21(7-6-14(13)19-20-15)16(22)18-12-5-3-4-11(17)8-12;2-1-3/h2-4,9H,5-8,10H2,1H3,(H,19,23)(H,20,21);3-5,8H,1,6-7,9H2,2H3,(H,18,22)(H,19,20);1H2.
What are the key properties of chloro(iodo)methane;N-(3-chlorophenyl)-3-(1-methylcyclopropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
chloro(iodo)methane;N-(3-chlorophenyl)-3-(1-methylcyclopropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 823.99 g/mol, XLogP of 9.01, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(iodo)methane;N-(3-chlorophenyl)-3-(1-methylcyclopropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-prop-1-en-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 157436893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).