5-methyl-N-phenyl-1-propan-2-ylpyrazole-3-carboxamide

C14H17N3O — CID 110681605

IUPAC5-methyl-N-phenyl-1-propan-2-ylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2)nn1C(C)C
InChIInChI=1S/C14H17N3O/c1-10(2)17-11(3)9-13(16-17)14(18)15-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,15,18)
InChIKeyBPHLVISSZBSCIZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.02
Rot. Bonds3

About 5-methyl-N-phenyl-1-propan-2-ylpyrazole-3-carboxamide

5-methyl-N-phenyl-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 110681605) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-methyl-N-phenyl-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-phenyl-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID110681605
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-methyl-N-phenyl-1-propan-2-ylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2)nn1C(C)C
InChIInChI=1S/C14H17N3O/c1-10(2)17-11(3)9-13(16-17)14(18)15-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,15,18)
InChIKeyBPHLVISSZBSCIZ-UHFFFAOYSA-N
XLogP3.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-phenyl-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-phenyl-1-propan-2-ylpyrazole-3-carboxamide (CID 110681605) is 5-methyl-N-phenyl-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-phenyl-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-phenyl-1-propan-2-ylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2)nn1C(C)C.
What is the InChIKey of 5-methyl-N-phenyl-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is BPHLVISSZBSCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(2)17-11(3)9-13(16-17)14(18)15-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,15,18).
What are the key properties of 5-methyl-N-phenyl-1-propan-2-ylpyrazole-3-carboxamide?
5-methyl-N-phenyl-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-phenyl-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 110681605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).