1-methyl-N-[4-(4-methylbenzoyl)phenyl]-3-propylpyrazole-5-carboxamide

C22H23N3O2 — CID 985879

IUPAC1-methyl-N-[4-(4-methylbenzoyl)phenyl]-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(C(=O)c3ccc(C)cc3)cc2)n(C)n1
InChIInChI=1S/C22H23N3O2/c1-4-5-19-14-20(25(3)24-19)22(27)23-18-12-10-17(11-13-18)21(26)16-8-6-15(2)7-9-16/h6-14H,4-5H2,1-3H3,(H,23,27)
InChIKeyYNGNRWRIHNQGCZ-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.16
Rot. Bonds6

About 1-methyl-N-[4-(4-methylbenzoyl)phenyl]-3-propylpyrazole-5-carboxamide

1-methyl-N-[4-(4-methylbenzoyl)phenyl]-3-propylpyrazole-5-carboxamide (PubChem CID 985879) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-methyl-N-[4-(4-methylbenzoyl)phenyl]-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(4-methylbenzoyl)phenyl]-3-propylpyrazole-5-carboxamide
PubChem CID985879
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-methyl-N-[4-(4-methylbenzoyl)phenyl]-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(C(=O)c3ccc(C)cc3)cc2)n(C)n1
InChIInChI=1S/C22H23N3O2/c1-4-5-19-14-20(25(3)24-19)22(27)23-18-12-10-17(11-13-18)21(26)16-8-6-15(2)7-9-16/h6-14H,4-5H2,1-3H3,(H,23,27)
InChIKeyYNGNRWRIHNQGCZ-UHFFFAOYSA-N
XLogP4.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(4-methylbenzoyl)phenyl]-3-propylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[4-(4-methylbenzoyl)phenyl]-3-propylpyrazole-5-carboxamide (CID 985879) is 1-methyl-N-[4-(4-methylbenzoyl)phenyl]-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(4-methylbenzoyl)phenyl]-3-propylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(4-methylbenzoyl)phenyl]-3-propylpyrazole-5-carboxamide is CCCc1cc(C(=O)Nc2ccc(C(=O)c3ccc(C)cc3)cc2)n(C)n1.
What is the InChIKey of 1-methyl-N-[4-(4-methylbenzoyl)phenyl]-3-propylpyrazole-5-carboxamide?
The InChIKey is YNGNRWRIHNQGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-4-5-19-14-20(25(3)24-19)22(27)23-18-12-10-17(11-13-18)21(26)16-8-6-15(2)7-9-16/h6-14H,4-5H2,1-3H3,(H,23,27).
What are the key properties of 1-methyl-N-[4-(4-methylbenzoyl)phenyl]-3-propylpyrazole-5-carboxamide?
1-methyl-N-[4-(4-methylbenzoyl)phenyl]-3-propylpyrazole-5-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(4-methylbenzoyl)phenyl]-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 985879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).