1-piperidin-4-yl-N-(4-pyrazol-1-ylphenyl)pyrrole-2-carboxamide

C19H21N5O — CID 86770861

IUPAC1-piperidin-4-yl-N-(4-pyrazol-1-ylphenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)c1cccn1C1CCNCC1
InChIInChI=1S/C19H21N5O/c25-19(18-3-1-13-23(18)16-8-11-20-12-9-16)22-15-4-6-17(7-5-15)24-14-2-10-21-24/h1-7,10,13-14,16,20H,8-9,11-12H2,(H,22,25)
InChIKeyJDNVKIIANUOGAK-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.85
Rot. Bonds4

About 1-piperidin-4-yl-N-(4-pyrazol-1-ylphenyl)pyrrole-2-carboxamide

1-piperidin-4-yl-N-(4-pyrazol-1-ylphenyl)pyrrole-2-carboxamide (PubChem CID 86770861) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(4-pyrazol-1-ylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(4-pyrazol-1-ylphenyl)pyrrole-2-carboxamide
PubChem CID86770861
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-piperidin-4-yl-N-(4-pyrazol-1-ylphenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)c1cccn1C1CCNCC1
InChIInChI=1S/C19H21N5O/c25-19(18-3-1-13-23(18)16-8-11-20-12-9-16)22-15-4-6-17(7-5-15)24-14-2-10-21-24/h1-7,10,13-14,16,20H,8-9,11-12H2,(H,22,25)
InChIKeyJDNVKIIANUOGAK-UHFFFAOYSA-N
XLogP2.85
TPSA63.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-piperidin-4-yl-N-pyrimidin-5-ylpyrrole-2-carboxamide
CID 107588651
1-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide
CID 62715754
1-piperidin-4-yl-N-(2-pyrazol-1-ylethyl)pyrrole-2-carboxamide
CID 62716104
4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid
CID 43639269
N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 104618886
1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 114609194
4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid
CID 114608562
N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739736
1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
CID 81494193
cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564829
2-methyl-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 62715245

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(4-pyrazol-1-ylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-(4-pyrazol-1-ylphenyl)pyrrole-2-carboxamide (CID 86770861) is 1-piperidin-4-yl-N-(4-pyrazol-1-ylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-(4-pyrazol-1-ylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-(4-pyrazol-1-ylphenyl)pyrrole-2-carboxamide is O=C(Nc1ccc(-n2cccn2)cc1)c1cccn1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-N-(4-pyrazol-1-ylphenyl)pyrrole-2-carboxamide?
The InChIKey is JDNVKIIANUOGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c25-19(18-3-1-13-23(18)16-8-11-20-12-9-16)22-15-4-6-17(7-5-15)24-14-2-10-21-24/h1-7,10,13-14,16,20H,8-9,11-12H2,(H,22,25).
What are the key properties of 1-piperidin-4-yl-N-(4-pyrazol-1-ylphenyl)pyrrole-2-carboxamide?
1-piperidin-4-yl-N-(4-pyrazol-1-ylphenyl)pyrrole-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-(4-pyrazol-1-ylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 86770861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).