N-(3-bromophenyl)-5-piperidin-3-yl-1H-pyrazole-3-carboxamide

C15H17BrN4O — CID 112707531

IUPACN-(3-bromophenyl)-5-piperidin-3-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cc(C2CCCNC2)[nH]n1
InChIInChI=1S/C15H17BrN4O/c16-11-4-1-5-12(7-11)18-15(21)14-8-13(19-20-14)10-3-2-6-17-9-10/h1,4-5,7-8,10,17H,2-3,6,9H2,(H,18,21)(H,19,20)
InChIKeyHHTMVPHRQVTQTN-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.89
Rot. Bonds3

About N-(3-bromophenyl)-5-piperidin-3-yl-1H-pyrazole-3-carboxamide

N-(3-bromophenyl)-5-piperidin-3-yl-1H-pyrazole-3-carboxamide (PubChem CID 112707531) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-piperidin-3-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-piperidin-3-yl-1H-pyrazole-3-carboxamide
PubChem CID112707531
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC NameN-(3-bromophenyl)-5-piperidin-3-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cc(C2CCCNC2)[nH]n1
InChIInChI=1S/C15H17BrN4O/c16-11-4-1-5-12(7-11)18-15(21)14-8-13(19-20-14)10-3-2-6-17-9-10/h1,4-5,7-8,10,17H,2-3,6,9H2,(H,18,21)(H,19,20)
InChIKeyHHTMVPHRQVTQTN-UHFFFAOYSA-N
XLogP2.89
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 5168956
N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 39154401
5-[(3R)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 92615149
N-(4-bromo-3-methylphenyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide
CID 112707582
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120603285
N-(3-bromophenyl)-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 5176443
N-(3-chlorophenyl)-5-[(3R)-piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94133475
N-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741020
N-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide
CID 95825774
2-[[3-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]methylsulfanyl]acetic acid
CID 119240713
1-phenyl-3-[3-[(3R)-piperidin-3-yl]phenyl]urea
CID 124564227
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide
CID 167973951

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-piperidin-3-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-5-piperidin-3-yl-1H-pyrazole-3-carboxamide (CID 112707531) is N-(3-bromophenyl)-5-piperidin-3-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-5-piperidin-3-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-5-piperidin-3-yl-1H-pyrazole-3-carboxamide is O=C(Nc1cccc(Br)c1)c1cc(C2CCCNC2)[nH]n1.
What is the InChIKey of N-(3-bromophenyl)-5-piperidin-3-yl-1H-pyrazole-3-carboxamide?
The InChIKey is HHTMVPHRQVTQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c16-11-4-1-5-12(7-11)18-15(21)14-8-13(19-20-14)10-3-2-6-17-9-10/h1,4-5,7-8,10,17H,2-3,6,9H2,(H,18,21)(H,19,20).
What are the key properties of N-(3-bromophenyl)-5-piperidin-3-yl-1H-pyrazole-3-carboxamide?
N-(3-bromophenyl)-5-piperidin-3-yl-1H-pyrazole-3-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-piperidin-3-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 112707531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).