1-(2-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]pyrazole-4-carboxamide

C15H18ClN3O3 — CID 110022361

IUPAC1-(2-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]pyrazole-4-carboxamide
SMILESO=C(NCCCOCCO)c1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C15H18ClN3O3/c16-13-4-1-2-5-14(13)19-11-12(10-18-19)15(21)17-6-3-8-22-9-7-20/h1-2,4-5,10-11,20H,3,6-9H2,(H,17,21)
InChIKeyMCHQTDRZDBENIX-UHFFFAOYSA-N
MW323.78 g/mol
LogP1.65
Rot. Bonds8

About 1-(2-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]pyrazole-4-carboxamide

1-(2-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]pyrazole-4-carboxamide (PubChem CID 110022361) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]pyrazole-4-carboxamide
PubChem CID110022361
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name1-(2-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]pyrazole-4-carboxamide
SMILESO=C(NCCCOCCO)c1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C15H18ClN3O3/c16-13-4-1-2-5-14(13)19-11-12(10-18-19)15(21)17-6-3-8-22-9-7-20/h1-2,4-5,10-11,20H,3,6-9H2,(H,17,21)
InChIKeyMCHQTDRZDBENIX-UHFFFAOYSA-N
XLogP1.65
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]pyrazole-4-carboxamide
CID 49195858
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea
CID 111458977
1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide
CID 50772943
N-[3-(cyclopropylmethoxy)propyl]-1-phenylpyrazole-4-carboxamide
CID 18120950
1-(2-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]pyrazole-4-carboxamide
CID 86967160
2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide
CID 110024020
1-(2-chlorophenyl)-N'-(2-fluorobenzoyl)pyrazole-4-carbohydrazide
CID 49156531
N-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]amino]-4-oxobutyl]-4-methoxybenzamide
CID 86896456
1-[(2-chlorophenyl)methyl]-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide
CID 18132255
5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 119234355
1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide
CID 167952862
3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide
CID 113365346

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]pyrazole-4-carboxamide (CID 110022361) is 1-(2-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]pyrazole-4-carboxamide is O=C(NCCCOCCO)c1cnn(-c2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]pyrazole-4-carboxamide?
The InChIKey is MCHQTDRZDBENIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c16-13-4-1-2-5-14(13)19-11-12(10-18-19)15(21)17-6-3-8-22-9-7-20/h1-2,4-5,10-11,20H,3,6-9H2,(H,17,21).
What are the key properties of 1-(2-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]pyrazole-4-carboxamide?
1-(2-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]pyrazole-4-carboxamide has a molecular weight of 323.78 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 110022361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).