1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide

C8H10F3N3O2 — CID 103723314

IUPAC1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC(O)C(F)(F)F)cn1
InChIInChI=1S/C8H10F3N3O2/c1-14-4-5(2-13-14)7(16)12-3-6(15)8(9,10)11/h2,4,6,15H,3H2,1H3,(H,12,16)
InChIKeyZVUHHGJPUSCVEP-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.07
Rot. Bonds3

About 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide

1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide (PubChem CID 103723314) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
PubChem CID103723314
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC(O)C(F)(F)F)cn1
InChIInChI=1S/C8H10F3N3O2/c1-14-4-5(2-13-14)7(16)12-3-6(15)8(9,10)11/h2,4,6,15H,3H2,1H3,(H,12,16)
InChIKeyZVUHHGJPUSCVEP-UHFFFAOYSA-N
XLogP0.07
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide
CID 103512630
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide
CID 111422596
2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 106107325
methyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate
CID 103879149
1-methyl-N-(trifluoromethyl)pyrazole-4-carboxamide
CID 91041717
1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103730649
N-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 39554190
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-carboxamide
CID 103860044
1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide
CID 86981269
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide
CID 111110961
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid
CID 65492256

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide (CID 103723314) is 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide is Cn1cc(C(=O)NCC(O)C(F)(F)F)cn1.
What is the InChIKey of 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide?
The InChIKey is ZVUHHGJPUSCVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-14-4-5(2-13-14)7(16)12-3-6(15)8(9,10)11/h2,4,6,15H,3H2,1H3,(H,12,16).
What are the key properties of 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide?
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide has a molecular weight of 237.18 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 103723314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).