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

C11H14N4O — CID 61394373

IUPAC1-propyl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C11H14N4O/c1-2-7-15-8-3-4-9(15)11(16)13-10-5-6-12-14-10/h3-6,8H,2,7H2,1H3,(H2,12,13,14,16)
InChIKeyMLPJYYPBXYQCKM-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.87
Rot. Bonds4

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

1-propyl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide (PubChem CID 61394373) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-propyl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-propyl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide
PubChem CID61394373
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-propyl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C11H14N4O/c1-2-7-15-8-3-4-9(15)11(16)13-10-5-6-12-14-10/h3-6,8H,2,7H2,1H3,(H2,12,13,14,16)
InChIKeyMLPJYYPBXYQCKM-UHFFFAOYSA-N
XLogP1.87
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-propyl-N-(1H-pyrazol-5-yl)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

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-propyl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide (CID 61394373) is 1-propyl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-propyl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-propyl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide is CCCn1cccc1C(=O)Nc1ccn[nH]1.
What is the InChIKey of 1-propyl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide?
The InChIKey is MLPJYYPBXYQCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-7-15-8-3-4-9(15)11(16)13-10-5-6-12-14-10/h3-6,8H,2,7H2,1H3,(H2,12,13,14,16).
What are the key properties of 1-propyl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide?
1-propyl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 61394373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).