1-(4-chlorophenyl)-N-[4-(cyanomethoxy)phenyl]-5-methylpyrazole-4-carboxamide

C19H15ClN4O2 — CID 24629643

IUPAC1-(4-chlorophenyl)-N-[4-(cyanomethoxy)phenyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(OCC#N)cc2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN4O2/c1-13-18(12-22-24(13)16-6-2-14(20)3-7-16)19(25)23-15-4-8-17(9-5-15)26-11-10-21/h2-9,12H,11H2,1H3,(H,23,25)
InChIKeyANNMPRCMUMUANJ-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.99
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[4-(cyanomethoxy)phenyl]-5-methylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[4-(cyanomethoxy)phenyl]-5-methylpyrazole-4-carboxamide (PubChem CID 24629643) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(cyanomethoxy)phenyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(cyanomethoxy)phenyl]-5-methylpyrazole-4-carboxamide
PubChem CID24629643
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name1-(4-chlorophenyl)-N-[4-(cyanomethoxy)phenyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(OCC#N)cc2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN4O2/c1-13-18(12-22-24(13)16-6-2-14(20)3-7-16)19(25)23-15-4-8-17(9-5-15)26-11-10-21/h2-9,12H,11H2,1H3,(H,23,25)
InChIKeyANNMPRCMUMUANJ-UHFFFAOYSA-N
XLogP3.99
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)-N-[4-(cyanomethoxy)phenyl]-5-methylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(cyanomethoxy)phenyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(cyanomethoxy)phenyl]-5-methylpyrazole-4-carboxamide (CID 24629643) is 1-(4-chlorophenyl)-N-[4-(cyanomethoxy)phenyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(cyanomethoxy)phenyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(cyanomethoxy)phenyl]-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(OCC#N)cc2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(cyanomethoxy)phenyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is ANNMPRCMUMUANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-13-18(12-22-24(13)16-6-2-14(20)3-7-16)19(25)23-15-4-8-17(9-5-15)26-11-10-21/h2-9,12H,11H2,1H3,(H,23,25).
What are the key properties of 1-(4-chlorophenyl)-N-[4-(cyanomethoxy)phenyl]-5-methylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[4-(cyanomethoxy)phenyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 366.81 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(cyanomethoxy)phenyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 24629643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).