5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide

C11H18ClN3O — CID 80683229

IUPAC5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide
SMILESCn1cc(CCNC(=O)CCCCCl)cn1
InChIInChI=1S/C11H18ClN3O/c1-15-9-10(8-14-15)5-7-13-11(16)4-2-3-6-12/h8-9H,2-7H2,1H3,(H,13,16)
InChIKeyJCUXNLCXNLMFNA-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.49
Rot. Bonds7

About 5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide

5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide (PubChem CID 80683229) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide
PubChem CID80683229
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide
SMILESCn1cc(CCNC(=O)CCCCCl)cn1
InChIInChI=1S/C11H18ClN3O/c1-15-9-10(8-14-15)5-7-13-11(16)4-2-3-6-12/h8-9H,2-7H2,1H3,(H,13,16)
InChIKeyJCUXNLCXNLMFNA-UHFFFAOYSA-N
XLogP1.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide 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

4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 80686901
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide
CID 80682207
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682637
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide
CID 80683092
2-chloro-N-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]acetamide
CID 80688704
5-[3-(1-methylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119234671
3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682189
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 91838881
N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide
CID 47352395
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107032863
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide
CID 116816357

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide?
The IUPAC name of 5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide (CID 80683229) is 5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide?
The canonical SMILES for 5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide is Cn1cc(CCNC(=O)CCCCCl)cn1.
What is the InChIKey of 5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide?
The InChIKey is JCUXNLCXNLMFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-15-9-10(8-14-15)5-7-13-11(16)4-2-3-6-12/h8-9H,2-7H2,1H3,(H,13,16).
What are the key properties of 5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide?
5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide has a molecular weight of 243.74 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide is sourced from PubChem (CID 80683229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).