1-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide

C13H17N5O — CID 62715754

IUPAC1-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1cccn1C1CCNCC1
InChIInChI=1S/C13H17N5O/c19-13(16-12-5-8-15-17-12)11-2-1-9-18(11)10-3-6-14-7-4-10/h1-2,5,8-10,14H,3-4,6-7H2,(H2,15,16,17,19)
InChIKeyBTKXHIJMPAIAPK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.39
Rot. Bonds3

About 1-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide

1-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide (PubChem CID 62715754) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide
PubChem CID62715754
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1cccn1C1CCNCC1
InChIInChI=1S/C13H17N5O/c19-13(16-12-5-8-15-17-12)11-2-1-9-18(11)10-3-6-14-7-4-10/h1-2,5,8-10,14H,3-4,6-7H2,(H2,15,16,17,19)
InChIKeyBTKXHIJMPAIAPK-UHFFFAOYSA-N
XLogP1.39
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-4-yl-N-pyrimidin-5-ylpyrrole-2-carboxamide
CID 107588651
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 104618886
1-piperidin-4-yl-N-(4-pyrazol-1-ylphenyl)pyrrole-2-carboxamide
CID 86770861
N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739736
1-piperidin-4-yl-N-(2-pyrazol-1-ylethyl)pyrrole-2-carboxamide
CID 62716104
N-(3-methylcyclopentyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 114546140
cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564829
2-methyl-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 62715245
1-propyl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide
CID 61394373
N-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 106328568
(1-piperidin-4-ylpyrrol-2-yl)-pyrazin-2-ylmethanone
CID 116564790
N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide (CID 62715754) is 1-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide is O=C(Nc1ccn[nH]1)c1cccn1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide?
The InChIKey is BTKXHIJMPAIAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c19-13(16-12-5-8-15-17-12)11-2-1-9-18(11)10-3-6-14-7-4-10/h1-2,5,8-10,14H,3-4,6-7H2,(H2,15,16,17,19).
What are the key properties of 1-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide?
1-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 62715754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).