N-[(3-carbamoylphenyl)methyl]-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide

C19H17ClN4O2 — CID 32637491

IUPACN-[(3-carbamoylphenyl)methyl]-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccc(C(N)=O)c2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN4O2/c1-12-17(11-23-24(12)16-7-5-15(20)6-8-16)19(26)22-10-13-3-2-4-14(9-13)18(21)25/h2-9,11H,10H2,1H3,(H2,21,25)(H,22,26)
InChIKeySQNTZGCOENBRAV-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.86
Rot. Bonds5

About N-[(3-carbamoylphenyl)methyl]-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide

N-[(3-carbamoylphenyl)methyl]-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 32637491) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID32637491
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-[(3-carbamoylphenyl)methyl]-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccc(C(N)=O)c2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN4O2/c1-12-17(11-23-24(12)16-7-5-15(20)6-8-16)19(26)22-10-13-3-2-4-14(9-13)18(21)25/h2-9,11H,10H2,1H3,(H2,21,25)(H,22,26)
InChIKeySQNTZGCOENBRAV-UHFFFAOYSA-N
XLogP2.86
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide (CID 32637491) is N-[(3-carbamoylphenyl)methyl]-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NCc2cccc(C(N)=O)c2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is SQNTZGCOENBRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-12-17(11-23-24(12)16-7-5-15(20)6-8-16)19(26)22-10-13-3-2-4-14(9-13)18(21)25/h2-9,11H,10H2,1H3,(H2,21,25)(H,22,26).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide?
N-[(3-carbamoylphenyl)methyl]-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 32637491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).