1,3-dimethyl-5-[4-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide

C18H25N3O — CID 174732221

IUPAC1,3-dimethyl-5-[4-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(-c2ccc(C(C)CC(C)C)cc2)c1C(N)=O
InChIInChI=1S/C18H25N3O/c1-11(2)10-12(3)14-6-8-15(9-7-14)17-16(18(19)22)13(4)20-21(17)5/h6-9,11-12H,10H2,1-5H3,(H2,19,22)
InChIKeyGAMNKDXSSDFGIR-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.64
Rot. Bonds5

About 1,3-dimethyl-5-[4-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide

1,3-dimethyl-5-[4-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 174732221) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1,3-dimethyl-5-[4-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-5-[4-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide
PubChem CID174732221
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1,3-dimethyl-5-[4-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(-c2ccc(C(C)CC(C)C)cc2)c1C(N)=O
InChIInChI=1S/C18H25N3O/c1-11(2)10-12(3)14-6-8-15(9-7-14)17-16(18(19)22)13(4)20-21(17)5/h6-9,11-12H,10H2,1-5H3,(H2,19,22)
InChIKeyGAMNKDXSSDFGIR-UHFFFAOYSA-N
XLogP3.64
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[4-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-5-[4-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide (CID 174732221) is 1,3-dimethyl-5-[4-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-5-[4-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-5-[4-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide is Cc1nn(C)c(-c2ccc(C(C)CC(C)C)cc2)c1C(N)=O.
What is the InChIKey of 1,3-dimethyl-5-[4-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is GAMNKDXSSDFGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-11(2)10-12(3)14-6-8-15(9-7-14)17-16(18(19)22)13(4)20-21(17)5/h6-9,11-12H,10H2,1-5H3,(H2,19,22).
What are the key properties of 1,3-dimethyl-5-[4-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide?
1,3-dimethyl-5-[4-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[4-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 174732221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).