3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide

C18H22N4O2 — CID 19336985

IUPAC3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
SMILESCc1cccc(C(=O)Nc2cnn(C)c2C(=O)N2CCCCC2)c1
InChIInChI=1S/C18H22N4O2/c1-13-7-6-8-14(11-13)17(23)20-15-12-19-21(2)16(15)18(24)22-9-4-3-5-10-22/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,20,23)
InChIKeyURWWLYSONCLBBZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.61
Rot. Bonds3

About 3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide

3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide (PubChem CID 19336985) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
PubChem CID19336985
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
SMILESCc1cccc(C(=O)Nc2cnn(C)c2C(=O)N2CCCCC2)c1
InChIInChI=1S/C18H22N4O2/c1-13-7-6-8-14(11-13)17(23)20-15-12-19-21(2)16(15)18(24)22-9-4-3-5-10-22/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,20,23)
InChIKeyURWWLYSONCLBBZ-UHFFFAOYSA-N
XLogP2.61
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
CID 19337047
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide
CID 19411137
N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide
CID 99140359
N-[4-(azepane-1-carbonyl)phenyl]-3-methylbenzamide
CID 17198989
3-methoxy-2-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
CID 19338744
1-(3-chlorophenyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]urea
CID 19449713
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide
CID 109052045
5-[(2,5-dimethylphenoxy)methyl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]furan-2-carboxamide
CID 19337014
[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 36637274
N-(3-methylphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102907
3-(2,4-dichlorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19338768

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide?
The IUPAC name of 3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide (CID 19336985) is 3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide is Cc1cccc(C(=O)Nc2cnn(C)c2C(=O)N2CCCCC2)c1.
What is the InChIKey of 3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide?
The InChIKey is URWWLYSONCLBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-7-6-8-14(11-13)17(23)20-15-12-19-21(2)16(15)18(24)22-9-4-3-5-10-22/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,20,23).
What are the key properties of 3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide?
3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 19336985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).