N-[2-(2-chloroethyl)pentyl]-1H-pyrazole-5-carboxamide

C11H18ClN3O — CID 106117591

IUPACN-[2-(2-chloroethyl)pentyl]-1H-pyrazole-5-carboxamide
SMILESCCCC(CCCl)CNC(=O)c1ccn[nH]1
InChIInChI=1S/C11H18ClN3O/c1-2-3-9(4-6-12)8-13-11(16)10-5-7-14-15-10/h5,7,9H,2-4,6,8H2,1H3,(H,13,16)(H,14,15)
InChIKeyCBXQSOPBZGUFAI-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.18
Rot. Bonds7

About N-[2-(2-chloroethyl)pentyl]-1H-pyrazole-5-carboxamide

N-[2-(2-chloroethyl)pentyl]-1H-pyrazole-5-carboxamide (PubChem CID 106117591) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-1H-pyrazole-5-carboxamide
PubChem CID106117591
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC NameN-[2-(2-chloroethyl)pentyl]-1H-pyrazole-5-carboxamide
SMILESCCCC(CCCl)CNC(=O)c1ccn[nH]1
InChIInChI=1S/C11H18ClN3O/c1-2-3-9(4-6-12)8-13-11(16)10-5-7-14-15-10/h5,7,9H,2-4,6,8H2,1H3,(H,13,16)(H,14,15)
InChIKeyCBXQSOPBZGUFAI-UHFFFAOYSA-N
XLogP2.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(2-chloroethyl)pentyl]-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

N-(4-chlorobutan-2-yl)-1H-pyrazole-5-carboxamide
CID 83179850
3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide
CID 106117633
N-(4-bromo-2-methylbutyl)-1H-pyrazole-5-carboxamide
CID 114316784
N-(1-chloro-4-methylpentan-3-yl)-1H-pyrazole-5-carboxamide
CID 106354813
N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide
CID 106117621
N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide
CID 106117548
3-methyl-2-[(1H-pyrazole-5-carbonylamino)methyl]butanoic acid
CID 65220054
N-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide
CID 106117656
5-chloro-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide
CID 106117523
N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide
CID 106117686
N-(2-amino-4-methylpentyl)-1H-pyrazole-5-carboxamide
CID 107158805
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-carboxamide
CID 114757910

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-1H-pyrazole-5-carboxamide (CID 106117591) is N-[2-(2-chloroethyl)pentyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-1H-pyrazole-5-carboxamide is CCCC(CCCl)CNC(=O)c1ccn[nH]1.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-1H-pyrazole-5-carboxamide?
The InChIKey is CBXQSOPBZGUFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-2-3-9(4-6-12)8-13-11(16)10-5-7-14-15-10/h5,7,9H,2-4,6,8H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-[2-(2-chloroethyl)pentyl]-1H-pyrazole-5-carboxamide?
N-[2-(2-chloroethyl)pentyl]-1H-pyrazole-5-carboxamide has a molecular weight of 243.74 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 106117591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).