N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide

C17H22N4O2 — CID 75476323

IUPACN-[2-methyl-5-(methylcarbamoyl)phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)c2cnn(CC(C)C)c2)c1
InChIInChI=1S/C17H22N4O2/c1-11(2)9-21-10-14(8-19-21)17(23)20-15-7-13(16(22)18-4)6-5-12(15)3/h5-8,10-11H,9H2,1-4H3,(H,18,22)(H,20,23)
InChIKeyHAKIWYNNAUQPEX-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.46
Rot. Bonds5

About N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide

N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 75476323) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(methylcarbamoyl)phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID75476323
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[2-methyl-5-(methylcarbamoyl)phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)c2cnn(CC(C)C)c2)c1
InChIInChI=1S/C17H22N4O2/c1-11(2)9-21-10-14(8-19-21)17(23)20-15-7-13(16(22)18-4)6-5-12(15)3/h5-8,10-11H,9H2,1-4H3,(H,18,22)(H,20,23)
InChIKeyHAKIWYNNAUQPEX-UHFFFAOYSA-N
XLogP2.46
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 75476323) is N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide is CNC(=O)c1ccc(C)c(NC(=O)c2cnn(CC(C)C)c2)c1.
What is the InChIKey of N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is HAKIWYNNAUQPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(2)9-21-10-14(8-19-21)17(23)20-15-7-13(16(22)18-4)6-5-12(15)3/h5-8,10-11H,9H2,1-4H3,(H,18,22)(H,20,23).
What are the key properties of N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 75476323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).