1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide

C15H18ClN3O2 — CID 50772943

IUPAC1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide
SMILESCCOCCCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H18ClN3O2/c1-2-21-9-3-8-17-15(20)12-10-18-19(11-12)14-6-4-13(16)5-7-14/h4-7,10-11H,2-3,8-9H2,1H3,(H,17,20)
InChIKeyTWPFJDRZRVAYOV-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.68
Rot. Bonds7

About 1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide (PubChem CID 50772943) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide
PubChem CID50772943
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide
SMILESCCOCCCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H18ClN3O2/c1-2-21-9-3-8-17-15(20)12-10-18-19(11-12)14-6-4-13(16)5-7-14/h4-7,10-11H,2-3,8-9H2,1H3,(H,17,20)
InChIKeyTWPFJDRZRVAYOV-UHFFFAOYSA-N
XLogP2.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111461412
1-(4-bromophenyl)-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide
CID 55792306
N-(3-ethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18138197
N-[3-(cyclopropylmethoxy)propyl]-1-phenylpyrazole-4-carboxamide
CID 18120950
1-(4-bromophenyl)-N-hexylpyrazole-4-carboxamide
CID 55771523
N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 55852638
1-(4-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide
CID 55841094
2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622068
6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide
CID 18070777
1-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
CID 50772791
1-(2-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]pyrazole-4-carboxamide
CID 110022361
1-(4-chlorophenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]pyrazole-4-carboxamide
CID 47056562

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide (CID 50772943) is 1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide is CCOCCCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide?
The InChIKey is TWPFJDRZRVAYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-2-21-9-3-8-17-15(20)12-10-18-19(11-12)14-6-4-13(16)5-7-14/h4-7,10-11H,2-3,8-9H2,1H3,(H,17,20).
What are the key properties of 1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 50772943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).