N-(2-amino-2-ethylbutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide

C17H23FN4O2 — CID 119642881

IUPACN-(2-amino-2-ethylbutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1nn(-c2ccc(F)cc2C)cc1O
InChIInChI=1S/C17H23FN4O2/c1-4-17(19,5-2)10-20-16(24)15-14(23)9-22(21-15)13-7-6-12(18)8-11(13)3/h6-9,23H,4-5,10,19H2,1-3H3,(H,20,24)
InChIKeyCWDIEDXFOXSENV-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.27
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide

N-(2-amino-2-ethylbutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide (PubChem CID 119642881) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
PubChem CID119642881
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC NameN-(2-amino-2-ethylbutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1nn(-c2ccc(F)cc2C)cc1O
InChIInChI=1S/C17H23FN4O2/c1-4-17(19,5-2)10-20-16(24)15-14(23)9-22(21-15)13-7-6-12(18)8-11(13)3/h6-9,23H,4-5,10,19H2,1-3H3,(H,20,24)
InChIKeyCWDIEDXFOXSENV-UHFFFAOYSA-N
XLogP2.27
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide (CID 119642881) is N-(2-amino-2-ethylbutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide is CCC(N)(CC)CNC(=O)c1nn(-c2ccc(F)cc2C)cc1O.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide?
The InChIKey is CWDIEDXFOXSENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-4-17(19,5-2)10-20-16(24)15-14(23)9-22(21-15)13-7-6-12(18)8-11(13)3/h6-9,23H,4-5,10,19H2,1-3H3,(H,20,24).
What are the key properties of N-(2-amino-2-ethylbutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide?
N-(2-amino-2-ethylbutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide is sourced from PubChem (CID 119642881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).