N-(4-bromo-3-methylphenyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide

C16H19BrN4O — CID 112707582

IUPACN-(4-bromo-3-methylphenyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(C3CCNCC3)[nH]n2)ccc1Br
InChIInChI=1S/C16H19BrN4O/c1-10-8-12(2-3-13(10)17)19-16(22)15-9-14(20-21-15)11-4-6-18-7-5-11/h2-3,8-9,11,18H,4-7H2,1H3,(H,19,22)(H,20,21)
InChIKeyBVWIOSCERGDUEE-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.20
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide

N-(4-bromo-3-methylphenyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide (PubChem CID 112707582) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide
PubChem CID112707582
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC NameN-(4-bromo-3-methylphenyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(C3CCNCC3)[nH]n2)ccc1Br
InChIInChI=1S/C16H19BrN4O/c1-10-8-12(2-3-13(10)17)19-16(22)15-9-14(20-21-15)11-4-6-18-7-5-11/h2-3,8-9,11,18H,4-7H2,1H3,(H,19,22)(H,20,21)
InChIKeyBVWIOSCERGDUEE-UHFFFAOYSA-N
XLogP3.20
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20854859
N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 39154401
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582476
N-(3-bromophenyl)-5-piperidin-3-yl-1H-pyrazole-3-carboxamide
CID 112707531
5-piperidin-4-yl-1H-pyrazole-3-carboxylic acid
CID 83409074
N-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide
CID 112708128
ethyl (E)-3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoate
CID 39191562
5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide
CID 46582218
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120603285
N-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20865072
5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 37043755
N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide (CID 112707582) is N-(4-bromo-3-methylphenyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide is Cc1cc(NC(=O)c2cc(C3CCNCC3)[nH]n2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide?
The InChIKey is BVWIOSCERGDUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-10-8-12(2-3-13(10)17)19-16(22)15-9-14(20-21-15)11-4-6-18-7-5-11/h2-3,8-9,11,18H,4-7H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(4-bromo-3-methylphenyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide?
N-(4-bromo-3-methylphenyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 112707582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).