N-(2-carbamoyl-4-fluoro-5-methylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxamide

C16H19FN4O2 — CID 75501457

IUPACN-(2-carbamoyl-4-fluoro-5-methylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(CC(C)C)c2)c(C(N)=O)cc1F
InChIInChI=1S/C16H19FN4O2/c1-9(2)7-21-8-11(6-19-21)16(23)20-14-4-10(3)13(17)5-12(14)15(18)22/h4-6,8-9H,7H2,1-3H3,(H2,18,22)(H,20,23)
InChIKeyXJGRIDNWOGOTMQ-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.34
Rot. Bonds5

About N-(2-carbamoyl-4-fluoro-5-methylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxamide

N-(2-carbamoyl-4-fluoro-5-methylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 75501457) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(2-carbamoyl-4-fluoro-5-methylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoyl-4-fluoro-5-methylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID75501457
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN-(2-carbamoyl-4-fluoro-5-methylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(CC(C)C)c2)c(C(N)=O)cc1F
InChIInChI=1S/C16H19FN4O2/c1-9(2)7-21-8-11(6-19-21)16(23)20-14-4-10(3)13(17)5-12(14)15(18)22/h4-6,8-9H,7H2,1-3H3,(H2,18,22)(H,20,23)
InChIKeyXJGRIDNWOGOTMQ-UHFFFAOYSA-N
XLogP2.34
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-4-fluoro-5-methylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2-carbamoyl-4-fluoro-5-methylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 75501457) is N-(2-carbamoyl-4-fluoro-5-methylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-carbamoyl-4-fluoro-5-methylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-carbamoyl-4-fluoro-5-methylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxamide is Cc1cc(NC(=O)c2cnn(CC(C)C)c2)c(C(N)=O)cc1F.
What is the InChIKey of N-(2-carbamoyl-4-fluoro-5-methylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is XJGRIDNWOGOTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-9(2)7-21-8-11(6-19-21)16(23)20-14-4-10(3)13(17)5-12(14)15(18)22/h4-6,8-9H,7H2,1-3H3,(H2,18,22)(H,20,23).
What are the key properties of N-(2-carbamoyl-4-fluoro-5-methylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
N-(2-carbamoyl-4-fluoro-5-methylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-4-fluoro-5-methylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 75501457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).