N-(3-hydroxy-3-methylbutyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C10H14F3N3O2 — CID 130313249

IUPACN-(3-hydroxy-3-methylbutyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)(O)CCNC(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C10H14F3N3O2/c1-9(2,18)3-4-14-8(17)6-5-7(16-15-6)10(11,12)13/h5,18H,3-4H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyHULLNNMEGFWWOQ-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.32
Rot. Bonds4

About N-(3-hydroxy-3-methylbutyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-(3-hydroxy-3-methylbutyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 130313249) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is N-(3-hydroxy-3-methylbutyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-methylbutyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID130313249
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC NameN-(3-hydroxy-3-methylbutyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)(O)CCNC(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C10H14F3N3O2/c1-9(2,18)3-4-14-8(17)6-5-7(16-15-6)10(11,12)13/h5,18H,3-4H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyHULLNNMEGFWWOQ-UHFFFAOYSA-N
XLogP1.32
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

US10022354, Example 194
CID 121279630
N-cyclopentyl-5-methyl-1H-pyrazole-3-carboxamide
CID 53017399
N-{[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl}-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 25130209
N,N-dimethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 1229878
N3,N5-dimethyl-1H-pyrazole-3,5-dicarboxamide
CID 85679562
(3R*,4R*)-3-cyclobutyl-4-methyl-1-{[3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}-3-pyrrolidinol
CID 72874379
((3R*,4R*)-4-{[ethyl(methyl)amino]methyl}-1-{[3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}-3-pyrrolidinyl)methanol
CID 72884128
N-(3-methanesulfonylprop-2-en-1-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 139018688
(4-fluoropiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 172435434
3-Methyl-N-(propan-2-YL)-1H-pyrazole-5-carboxamide
CID 53017378
N,5-Dimethyl-1H-pyrazole-3-carboxamide
CID 12109023
5-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 40053012

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-methylbutyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-hydroxy-3-methylbutyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 130313249) is N-(3-hydroxy-3-methylbutyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-methylbutyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-methylbutyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is CC(C)(O)CCNC(=O)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-(3-hydroxy-3-methylbutyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is HULLNNMEGFWWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-9(2,18)3-4-14-8(17)6-5-7(16-15-6)10(11,12)13/h5,18H,3-4H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-(3-hydroxy-3-methylbutyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-(3-hydroxy-3-methylbutyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 265.23 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-methylbutyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 130313249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).