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

C28H30FN5O — CID 22581077

IUPAC1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-fluorophenyl)piperidine-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(N2CCC(C(=O)Nc3ccccc3F)CC2)c1-n1c(C)ccc1C
InChIInChI=1S/C28H30FN5O/c1-19-13-14-20(2)33(19)26-21(3)31-34(23-9-5-4-6-10-23)28(26)32-17-15-22(16-18-32)27(35)30-25-12-8-7-11-24(25)29/h4-14,22H,15-18H2,1-3H3,(H,30,35)
InChIKeyXVAUXKXAQXPILA-UHFFFAOYSA-N
MW471.58 g/mol
LogP5.58
Rot. Bonds5

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

1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-fluorophenyl)piperidine-4-carboxamide (PubChem CID 22581077) has the molecular formula C28H30FN5O and a molecular weight of 471.58 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-fluorophenyl)piperidine-4-carboxamide
PubChem CID22581077
Molecular FormulaC28H30FN5O
Molecular Weight471.58 g/mol
Exact Mass471.24
IUPAC Name1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-fluorophenyl)piperidine-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(N2CCC(C(=O)Nc3ccccc3F)CC2)c1-n1c(C)ccc1C
InChIInChI=1S/C28H30FN5O/c1-19-13-14-20(2)33(19)26-21(3)31-34(23-9-5-4-6-10-23)28(26)32-17-15-22(16-18-32)27(35)30-25-12-8-7-11-24(25)29/h4-14,22H,15-18H2,1-3H3,(H,30,35)
InChIKeyXVAUXKXAQXPILA-UHFFFAOYSA-N
XLogP5.58
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.58
LogP ≤ 55.58
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-methylpiperidine-4-carboxamide
CID 22581101
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,1-bis(2-fluorophenyl)piperidine-4-carboxamide
CID 17152573
1-(4-aminophenyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 39453796
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46358544
N-(2-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519982
N-(2,4-dimethoxyphenyl)-1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]piperidine-4-carboxamide
CID 46358585
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-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2-methylphenyl)piperidine-4-carboxamide
CID 53070632

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-fluorophenyl)piperidine-4-carboxamide (CID 22581077) is 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-fluorophenyl)piperidine-4-carboxamide is Cc1nn(-c2ccccc2)c(N2CCC(C(=O)Nc3ccccc3F)CC2)c1-n1c(C)ccc1C.
What is the InChIKey of 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is XVAUXKXAQXPILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O/c1-19-13-14-20(2)33(19)26-21(3)31-34(23-9-5-4-6-10-23)28(26)32-17-15-22(16-18-32)27(35)30-25-12-8-7-11-24(25)29/h4-14,22H,15-18H2,1-3H3,(H,30,35).
What are the key properties of 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-fluorophenyl)piperidine-4-carboxamide?
1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 5.58, 5 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-(2-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 22581077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).