1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C17H17ClN4O2 — CID 30436764

IUPAC1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCOCCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1-n1cccc1
InChIInChI=1S/C17H17ClN4O2/c1-24-11-8-19-16(23)15-12-20-22(14-6-4-13(18)5-7-14)17(15)21-9-2-3-10-21/h2-7,9-10,12H,8,11H2,1H3,(H,19,23)
InChIKeyUWRFBZHXCXJVRA-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.69
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 30436764) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID30436764
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCOCCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1-n1cccc1
InChIInChI=1S/C17H17ClN4O2/c1-24-11-8-19-16(23)15-12-20-22(14-6-4-13(18)5-7-14)17(15)21-9-2-3-10-21/h2-7,9-10,12H,8,11H2,1H3,(H,19,23)
InChIKeyUWRFBZHXCXJVRA-UHFFFAOYSA-N
XLogP2.69
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-pyrrol-1-ylpyrazole-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-butyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915300
N-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892553
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915321
N-[2-(dipropylamino)ethyl]-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20914995
1-(4-chlorophenyl)-5-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 51052511
1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915284
1-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915331
N-(5-chloro-2-methoxyphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892594
N-[(2S)-butan-2-yl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 26745598
N-[(5-chloro-2-ethylsulfanylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 134548634
N-(2-methoxyethyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915137
N-[2-(4-chlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 91440664

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 30436764) is 1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is COCCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1-n1cccc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is UWRFBZHXCXJVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-24-11-8-19-16(23)15-12-20-22(14-6-4-13(18)5-7-14)17(15)21-9-2-3-10-21/h2-7,9-10,12H,8,11H2,1H3,(H,19,23).
What are the key properties of 1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 30436764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).