3-[(2-chlorobenzoyl)amino]-4-methyl-N-phenyl-1H-pyrazole-5-carboxamide

C18H15ClN4O2 — CID 11405561

IUPAC3-[(2-chlorobenzoyl)amino]-4-methyl-N-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1c(NC(=O)c2ccccc2Cl)n[nH]c1C(=O)Nc1ccccc1
InChIInChI=1S/C18H15ClN4O2/c1-11-15(18(25)20-12-7-3-2-4-8-12)22-23-16(11)21-17(24)13-9-5-6-10-14(13)19/h2-10H,1H3,(H,20,25)(H2,21,22,23,24)
InChIKeySLEMAEFHYADJGN-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.88
Rot. Bonds4

About 3-[(2-chlorobenzoyl)amino]-4-methyl-N-phenyl-1H-pyrazole-5-carboxamide

3-[(2-chlorobenzoyl)amino]-4-methyl-N-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 11405561) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 3-[(2-chlorobenzoyl)amino]-4-methyl-N-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2-chlorobenzoyl)amino]-4-methyl-N-phenyl-1H-pyrazole-5-carboxamide
PubChem CID11405561
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name3-[(2-chlorobenzoyl)amino]-4-methyl-N-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1c(NC(=O)c2ccccc2Cl)n[nH]c1C(=O)Nc1ccccc1
InChIInChI=1S/C18H15ClN4O2/c1-11-15(18(25)20-12-7-3-2-4-8-12)22-23-16(11)21-17(24)13-9-5-6-10-14(13)19/h2-10H,1H3,(H,20,25)(H2,21,22,23,24)
InChIKeySLEMAEFHYADJGN-UHFFFAOYSA-N
XLogP3.88
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorobenzoyl)amino]-4-methyl-N-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[(2-chlorobenzoyl)amino]-4-methyl-N-phenyl-1H-pyrazole-5-carboxamide (CID 11405561) is 3-[(2-chlorobenzoyl)amino]-4-methyl-N-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[(2-chlorobenzoyl)amino]-4-methyl-N-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[(2-chlorobenzoyl)amino]-4-methyl-N-phenyl-1H-pyrazole-5-carboxamide is Cc1c(NC(=O)c2ccccc2Cl)n[nH]c1C(=O)Nc1ccccc1.
What is the InChIKey of 3-[(2-chlorobenzoyl)amino]-4-methyl-N-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is SLEMAEFHYADJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-11-15(18(25)20-12-7-3-2-4-8-12)22-23-16(11)21-17(24)13-9-5-6-10-14(13)19/h2-10H,1H3,(H,20,25)(H2,21,22,23,24).
What are the key properties of 3-[(2-chlorobenzoyl)amino]-4-methyl-N-phenyl-1H-pyrazole-5-carboxamide?
3-[(2-chlorobenzoyl)amino]-4-methyl-N-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 3.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorobenzoyl)amino]-4-methyl-N-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 11405561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).