1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-methylpiperidine-4-carboxamide

C23H29N5O — CID 22581101

IUPAC1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2c(-n3c(C)ccc3C)c(C)nn2-c2ccccc2)CC1
InChIInChI=1S/C23H29N5O/c1-16-10-11-17(2)27(16)21-18(3)25-28(20-8-6-5-7-9-20)23(21)26-14-12-19(13-15-26)22(29)24-4/h5-11,19H,12-15H2,1-4H3,(H,24,29)
InChIKeyJUQPFYHGMIRHLE-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.55
Rot. Bonds4

About 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-methylpiperidine-4-carboxamide

1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 22581101) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-methylpiperidine-4-carboxamide
PubChem CID22581101
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2c(-n3c(C)ccc3C)c(C)nn2-c2ccccc2)CC1
InChIInChI=1S/C23H29N5O/c1-16-10-11-17(2)27(16)21-18(3)25-28(20-8-6-5-7-9-20)23(21)26-14-12-19(13-15-26)22(29)24-4/h5-11,19H,12-15H2,1-4H3,(H,24,29)
InChIKeyJUQPFYHGMIRHLE-UHFFFAOYSA-N
XLogP3.55
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 22581077
1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46358028
1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 22581091
1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 46358029
N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 42408226
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 46358506
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide
CID 46358533
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46358544
1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 92876422
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[3-(azepan-1-yl)propyl]piperidine-4-carboxamide
CID 22581292
1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 24568699
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide
CID 92876417

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-methylpiperidine-4-carboxamide (CID 22581101) is 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2c(-n3c(C)ccc3C)c(C)nn2-c2ccccc2)CC1.
What is the InChIKey of 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is JUQPFYHGMIRHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-16-10-11-17(2)27(16)21-18(3)25-28(20-8-6-5-7-9-20)23(21)26-14-12-19(13-15-26)22(29)24-4/h5-11,19H,12-15H2,1-4H3,(H,24,29).
What are the key properties of 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-methylpiperidine-4-carboxamide?
1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 22581101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).