1-methyl-4-[3-[4-(2-methylpropyl)phenyl]propanoylamino]pyrazole-3-carboxamide

C18H24N4O2 — CID 136548043

IUPAC1-methyl-4-[3-[4-(2-methylpropyl)phenyl]propanoylamino]pyrazole-3-carboxamide
SMILESCC(C)Cc1ccc(CCC(=O)Nc2cn(C)nc2C(N)=O)cc1
InChIInChI=1S/C18H24N4O2/c1-12(2)10-14-6-4-13(5-7-14)8-9-16(23)20-15-11-22(3)21-17(15)18(19)24/h4-7,11-12H,8-10H2,1-3H3,(H2,19,24)(H,20,23)
InChIKeyFZQACUAQUVETKH-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.29
Rot. Bonds7

About 1-methyl-4-[3-[4-(2-methylpropyl)phenyl]propanoylamino]pyrazole-3-carboxamide

1-methyl-4-[3-[4-(2-methylpropyl)phenyl]propanoylamino]pyrazole-3-carboxamide (PubChem CID 136548043) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-methyl-4-[3-[4-(2-methylpropyl)phenyl]propanoylamino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[3-[4-(2-methylpropyl)phenyl]propanoylamino]pyrazole-3-carboxamide
PubChem CID136548043
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-methyl-4-[3-[4-(2-methylpropyl)phenyl]propanoylamino]pyrazole-3-carboxamide
SMILESCC(C)Cc1ccc(CCC(=O)Nc2cn(C)nc2C(N)=O)cc1
InChIInChI=1S/C18H24N4O2/c1-12(2)10-14-6-4-13(5-7-14)8-9-16(23)20-15-11-22(3)21-17(15)18(19)24/h4-7,11-12H,8-10H2,1-3H3,(H2,19,24)(H,20,23)
InChIKeyFZQACUAQUVETKH-UHFFFAOYSA-N
XLogP2.29
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[4-(2-methylpropyl)phenyl]propanoylamino]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-4-[3-[4-(2-methylpropyl)phenyl]propanoylamino]pyrazole-3-carboxamide (CID 136548043) is 1-methyl-4-[3-[4-(2-methylpropyl)phenyl]propanoylamino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-4-[3-[4-(2-methylpropyl)phenyl]propanoylamino]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-4-[3-[4-(2-methylpropyl)phenyl]propanoylamino]pyrazole-3-carboxamide is CC(C)Cc1ccc(CCC(=O)Nc2cn(C)nc2C(N)=O)cc1.
What is the InChIKey of 1-methyl-4-[3-[4-(2-methylpropyl)phenyl]propanoylamino]pyrazole-3-carboxamide?
The InChIKey is FZQACUAQUVETKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12(2)10-14-6-4-13(5-7-14)8-9-16(23)20-15-11-22(3)21-17(15)18(19)24/h4-7,11-12H,8-10H2,1-3H3,(H2,19,24)(H,20,23).
What are the key properties of 1-methyl-4-[3-[4-(2-methylpropyl)phenyl]propanoylamino]pyrazole-3-carboxamide?
1-methyl-4-[3-[4-(2-methylpropyl)phenyl]propanoylamino]pyrazole-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[4-(2-methylpropyl)phenyl]propanoylamino]pyrazole-3-carboxamide is sourced from PubChem (CID 136548043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).