3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide

C15H18N6O — CID 91769490

IUPAC3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide
SMILESCn1c(CCCNC(=O)c2cc(N)n[nH]2)nc2ccccc21
InChIInChI=1S/C15H18N6O/c1-21-12-6-3-2-5-10(12)18-14(21)7-4-8-17-15(22)11-9-13(16)20-19-11/h2-3,5-6,9H,4,7-8H2,1H3,(H,17,22)(H3,16,19,20)
InChIKeyOHRSVYAKVYTXRU-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.24
Rot. Bonds5

About 3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide

3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide (PubChem CID 91769490) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide
PubChem CID91769490
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide
SMILESCn1c(CCCNC(=O)c2cc(N)n[nH]2)nc2ccccc21
InChIInChI=1S/C15H18N6O/c1-21-12-6-3-2-5-10(12)18-14(21)7-4-8-17-15(22)11-9-13(16)20-19-11/h2-3,5-6,9H,4,7-8H2,1H3,(H,17,22)(H3,16,19,20)
InChIKeyOHRSVYAKVYTXRU-UHFFFAOYSA-N
XLogP1.24
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-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

3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16983297
2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16982503
1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 50970727
N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide
CID 56792616
4-amino-5-chloro-2-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide;dihydrochloride
CID 119889954
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119889963
3-(2-amino-1,3-thiazol-4-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 91832585
5-acetyl-2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrrole-3-carboxamide
CID 118787005
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 91821860
3-amino-N-pentyl-1H-pyrazole-5-carboxamide
CID 64525391
(2R,4S)-4-hydroxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-2-carboxamide
CID 124697255
3-amino-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119889914

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide (CID 91769490) is 3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide is Cn1c(CCCNC(=O)c2cc(N)n[nH]2)nc2ccccc21.
What is the InChIKey of 3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide?
The InChIKey is OHRSVYAKVYTXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-21-12-6-3-2-5-10(12)18-14(21)7-4-8-17-15(22)11-9-13(16)20-19-11/h2-3,5-6,9H,4,7-8H2,1H3,(H,17,22)(H3,16,19,20).
What are the key properties of 3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91769490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).