1-cyclopropyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2-carboxamide

C13H17N5O — CID 64545760

IUPAC1-cyclopropyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)c1cccn1C1CC1
InChIInChI=1S/C13H17N5O/c19-13(11-3-2-8-18(11)10-5-6-10)14-7-1-4-12-15-9-16-17-12/h2-3,8-10H,1,4-7H2,(H,14,19)(H,15,16,17)
InChIKeyBPJPLBHJVCPWOU-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.30
Rot. Bonds6

About 1-cyclopropyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2-carboxamide

1-cyclopropyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2-carboxamide (PubChem CID 64545760) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2-carboxamide
PubChem CID64545760
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-cyclopropyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)c1cccn1C1CC1
InChIInChI=1S/C13H17N5O/c19-13(11-3-2-8-18(11)10-5-6-10)14-7-1-4-12-15-9-16-17-12/h2-3,8-10H,1,4-7H2,(H,14,19)(H,15,16,17)
InChIKeyBPJPLBHJVCPWOU-UHFFFAOYSA-N
XLogP1.30
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]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

1-cyclobutyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2-carboxamide
CID 114609921
1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2-carboxamide
CID 64519526
N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide
CID 64546872
N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
CID 64548665
1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 64532171
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide
CID 64518388
2-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64531149
1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide
CID 106120457
6-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyridine-3-carboxylic acid
CID 64523165
2-[1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-4-yl]acetic acid
CID 79609464
N-hex-5-ynyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 106213127
3,4-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64547641

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2-carboxamide (CID 64545760) is 1-cyclopropyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2-carboxamide is O=C(NCCCc1ncn[nH]1)c1cccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2-carboxamide?
The InChIKey is BPJPLBHJVCPWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c19-13(11-3-2-8-18(11)10-5-6-10)14-7-1-4-12-15-9-16-17-12/h2-3,8-10H,1,4-7H2,(H,14,19)(H,15,16,17).
What are the key properties of 1-cyclopropyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2-carboxamide?
1-cyclopropyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2-carboxamide is sourced from PubChem (CID 64545760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).