N-hex-5-ynyl-1H-pyrazole-4-carboxamide

C10H13N3O — CID 103757880

IUPACN-hex-5-ynyl-1H-pyrazole-4-carboxamide
SMILESC#CCCCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C10H13N3O/c1-2-3-4-5-6-11-10(14)9-7-12-13-8-9/h1,7-8H,3-6H2,(H,11,14)(H,12,13)
InChIKeyURCKFWVTMHRMOL-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.94
Rot. Bonds5

About N-hex-5-ynyl-1H-pyrazole-4-carboxamide

N-hex-5-ynyl-1H-pyrazole-4-carboxamide (PubChem CID 103757880) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-hex-5-ynyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-hex-5-ynyl-1H-pyrazole-4-carboxamide
PubChem CID103757880
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-hex-5-ynyl-1H-pyrazole-4-carboxamide
SMILESC#CCCCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C10H13N3O/c1-2-3-4-5-6-11-10(14)9-7-12-13-8-9/h1,7-8H,3-6H2,(H,11,14)(H,12,13)
InChIKeyURCKFWVTMHRMOL-UHFFFAOYSA-N
XLogP0.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-hex-5-ynyl-1H-pyrazole-4-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-(6-aminohexyl)-1H-pyrazole-4-carboxamide
CID 107843778
N-(6-chlorohexyl)-1H-pyrazole-4-carboxamide
CID 107846522
N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-carboxamide
CID 115491628
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-carboxamide
CID 61037227
5-chloro-N-hex-5-ynylpyridine-2-carboxamide
CID 103757956
4-chloro-N-hex-5-ynyl-1H-pyrrole-2-carboxamide
CID 103758035
ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate
CID 60788161
N-hex-5-ynyl-4-(trifluoromethyl)benzamide
CID 103758068
N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
CID 43582844
N-(5-chloro-4-methylpentyl)-1H-pyrazole-4-carboxamide
CID 106156781
N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 83115021
N-pent-4-ynylpyridine-3-carboxamide
CID 103709101

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-hex-5-ynyl-1H-pyrazole-4-carboxamide (CID 103757880) is N-hex-5-ynyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-hex-5-ynyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-hex-5-ynyl-1H-pyrazole-4-carboxamide is C#CCCCCNC(=O)c1cn[nH]c1.
What is the InChIKey of N-hex-5-ynyl-1H-pyrazole-4-carboxamide?
The InChIKey is URCKFWVTMHRMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-3-4-5-6-11-10(14)9-7-12-13-8-9/h1,7-8H,3-6H2,(H,11,14)(H,12,13).
What are the key properties of N-hex-5-ynyl-1H-pyrazole-4-carboxamide?
N-hex-5-ynyl-1H-pyrazole-4-carboxamide has a molecular weight of 191.23 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 103757880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).