4-amino-5-ethyl-N-(3-fluoro-5-methylphenyl)-1H-pyrazole-3-carboxamide

C13H15FN4O — CID 79048461

IUPAC4-amino-5-ethyl-N-(3-fluoro-5-methylphenyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2cc(C)cc(F)c2)c1N
InChIInChI=1S/C13H15FN4O/c1-3-10-11(15)12(18-17-10)13(19)16-9-5-7(2)4-8(14)6-9/h4-6H,3,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeySUOUCOVVKJAMGN-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.25
Rot. Bonds3

About 4-amino-5-ethyl-N-(3-fluoro-5-methylphenyl)-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-(3-fluoro-5-methylphenyl)-1H-pyrazole-3-carboxamide (PubChem CID 79048461) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-(3-fluoro-5-methylphenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-(3-fluoro-5-methylphenyl)-1H-pyrazole-3-carboxamide
PubChem CID79048461
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name4-amino-5-ethyl-N-(3-fluoro-5-methylphenyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2cc(C)cc(F)c2)c1N
InChIInChI=1S/C13H15FN4O/c1-3-10-11(15)12(18-17-10)13(19)16-9-5-7(2)4-8(14)6-9/h4-6H,3,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeySUOUCOVVKJAMGN-UHFFFAOYSA-N
XLogP2.25
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-(3-fluoro-5-methylphenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-(3-fluoro-5-methylphenyl)-1H-pyrazole-3-carboxamide (CID 79048461) is 4-amino-5-ethyl-N-(3-fluoro-5-methylphenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-(3-fluoro-5-methylphenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-(3-fluoro-5-methylphenyl)-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)Nc2cc(C)cc(F)c2)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-(3-fluoro-5-methylphenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is SUOUCOVVKJAMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-3-10-11(15)12(18-17-10)13(19)16-9-5-7(2)4-8(14)6-9/h4-6H,3,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-5-ethyl-N-(3-fluoro-5-methylphenyl)-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-(3-fluoro-5-methylphenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-(3-fluoro-5-methylphenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 79048461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).