1-methyl-3-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide

C17H23N3O — CID 154159967

IUPAC1-methyl-3-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide
SMILESCC(C)CC(C)c1ccccc1-c1nn(C)cc1C(N)=O
InChIInChI=1S/C17H23N3O/c1-11(2)9-12(3)13-7-5-6-8-14(13)16-15(17(18)21)10-20(4)19-16/h5-8,10-12H,9H2,1-4H3,(H2,18,21)
InChIKeyDMNGKUWDFGFCLP-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.34
Rot. Bonds5

About 1-methyl-3-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide

1-methyl-3-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 154159967) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-methyl-3-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-3-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide
PubChem CID154159967
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-methyl-3-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide
SMILESCC(C)CC(C)c1ccccc1-c1nn(C)cc1C(N)=O
InChIInChI=1S/C17H23N3O/c1-11(2)9-12(3)13-7-5-6-8-14(13)16-15(17(18)21)10-20(4)19-16/h5-8,10-12H,9H2,1-4H3,(H2,18,21)
InChIKeyDMNGKUWDFGFCLP-UHFFFAOYSA-N
XLogP3.34
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-3-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide (CID 154159967) is 1-methyl-3-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-3-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-3-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide is CC(C)CC(C)c1ccccc1-c1nn(C)cc1C(N)=O.
What is the InChIKey of 1-methyl-3-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is DMNGKUWDFGFCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11(2)9-12(3)13-7-5-6-8-14(13)16-15(17(18)21)10-20(4)19-16/h5-8,10-12H,9H2,1-4H3,(H2,18,21).
What are the key properties of 1-methyl-3-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide?
1-methyl-3-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 154159967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).