N-[1-(3-hydroxypropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

C17H19N5O2 — CID 166379836

IUPACN-[1-(3-hydroxypropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccn(CCCO)n1)c1cccn1Cc1ccncc1
InChIInChI=1S/C17H19N5O2/c23-12-2-10-22-11-6-16(20-22)19-17(24)15-3-1-9-21(15)13-14-4-7-18-8-5-14/h1,3-9,11,23H,2,10,12-13H2,(H,19,20,24)
InChIKeyQHFYJQOEMAJEQZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.76
Rot. Bonds7

About N-[1-(3-hydroxypropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

N-[1-(3-hydroxypropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (PubChem CID 166379836) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[1-(3-hydroxypropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-hydroxypropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
PubChem CID166379836
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[1-(3-hydroxypropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccn(CCCO)n1)c1cccn1Cc1ccncc1
InChIInChI=1S/C17H19N5O2/c23-12-2-10-22-11-6-16(20-22)19-17(24)15-3-1-9-21(15)13-14-4-7-18-8-5-14/h1,3-9,11,23H,2,10,12-13H2,(H,19,20,24)
InChIKeyQHFYJQOEMAJEQZ-UHFFFAOYSA-N
XLogP1.76
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(3-hydroxypropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-methoxyethyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 166180657
N-[1-(2-methylpropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 166286991
N-(1-tert-butyl-1,2,4-triazol-3-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 166379839
1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone
CID 79106384
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 167069411
N-(4-bromo-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 154695040
4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871291
2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
CID 111432604
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51129992
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 167069410
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-2H-benzotriazole-5-carboxamide
CID 51101879
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 138041534

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxypropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of N-[1-(3-hydroxypropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (CID 166379836) is N-[1-(3-hydroxypropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(3-hydroxypropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[1-(3-hydroxypropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is O=C(Nc1ccn(CCCO)n1)c1cccn1Cc1ccncc1.
What is the InChIKey of N-[1-(3-hydroxypropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is QHFYJQOEMAJEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-12-2-10-22-11-6-16(20-22)19-17(24)15-3-1-9-21(15)13-14-4-7-18-8-5-14/h1,3-9,11,23H,2,10,12-13H2,(H,19,20,24).
What are the key properties of N-[1-(3-hydroxypropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
N-[1-(3-hydroxypropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxypropyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 166379836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).