1-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide

C18H19ClN4O2 — CID 42758788

IUPAC1-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
SMILESCOCCNC(=O)c1cc(-c2cccn2C)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN4O2/c1-22-10-3-4-16(22)15-12-17(18(24)20-9-11-25-2)23(21-15)14-7-5-13(19)6-8-14/h3-8,10,12H,9,11H2,1-2H3,(H,20,24)
InChIKeyYMQVZFDVBMHTEZ-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.91
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide

1-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide (PubChem CID 42758788) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
PubChem CID42758788
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name1-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
SMILESCOCCNC(=O)c1cc(-c2cccn2C)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN4O2/c1-22-10-3-4-16(22)15-12-17(18(24)20-9-11-25-2)23(21-15)14-7-5-13(19)6-8-14/h3-8,10,12H,9,11H2,1-2H3,(H,20,24)
InChIKeyYMQVZFDVBMHTEZ-UHFFFAOYSA-N
XLogP2.91
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-N-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 42758773
1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)-N-pentylpyrazole-5-carboxamide
CID 4301084
N-(3,3-diphenylpropyl)-1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4266680
1-(3,4-dichlorophenyl)-3-(1-methylpyrrol-2-yl)-N-pentylpyrazole-5-carboxamide
CID 3517534
1-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 3663891
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4006341
N-[2-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 42759469
N-benzyl-1-(3,4-dichlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 3413806
1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)-N-propan-2-ylpyrazole-5-carboxamide
CID 42758823
1-(4-fluorophenyl)-N-(2-methylpropyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 812253
1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 3945294
N-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3359659

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide (CID 42758788) is 1-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide is COCCNC(=O)c1cc(-c2cccn2C)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
The InChIKey is YMQVZFDVBMHTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-22-10-3-4-16(22)15-12-17(18(24)20-9-11-25-2)23(21-15)14-7-5-13(19)6-8-14/h3-8,10,12H,9,11H2,1-2H3,(H,20,24).
What are the key properties of 1-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
1-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 2.91, 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)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 42758788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).