1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide

C16H19BrN4O — CID 120557850

IUPAC1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCC1CNCCC1NC(=O)c1cnn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C16H19BrN4O/c1-11-8-18-7-6-15(11)20-16(22)12-9-19-21(10-12)14-4-2-13(17)3-5-14/h2-5,9-11,15,18H,6-8H2,1H3,(H,20,22)
InChIKeyCBRDQIFRBJCPNC-UHFFFAOYSA-N
MW363.26 g/mol
LogP2.36
Rot. Bonds3

About 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide

1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide (PubChem CID 120557850) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide
PubChem CID120557850
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCC1CNCCC1NC(=O)c1cnn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C16H19BrN4O/c1-11-8-18-7-6-15(11)20-16(22)12-9-19-21(10-12)14-4-2-13(17)3-5-14/h2-5,9-11,15,18H,6-8H2,1H3,(H,20,22)
InChIKeyCBRDQIFRBJCPNC-UHFFFAOYSA-N
XLogP2.36
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119453521
N-(3-methylpiperidin-4-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 120556062
1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide
CID 47242136
N-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride
CID 120557656
N-[4-(hydroxymethyl)piperidin-3-yl]-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 167780990
1-phenyl-N-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide
CID 28742838
1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide
CID 63326138
1-[(4-methoxyphenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120556372
1-[(2-chlorophenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120553896
4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 120554553
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120577775

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide (CID 120557850) is 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide is CC1CNCCC1NC(=O)c1cnn(-c2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is CBRDQIFRBJCPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-11-8-18-7-6-15(11)20-16(22)12-9-19-21(10-12)14-4-2-13(17)3-5-14/h2-5,9-11,15,18H,6-8H2,1H3,(H,20,22).
What are the key properties of 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide?
1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 120557850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).