1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide

C9H12F3N3O2 — CID 103730649

IUPAC1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(O)C(F)(F)F)cnn1C
InChIInChI=1S/C9H12F3N3O2/c1-5-6(3-14-15(5)2)8(17)13-4-7(16)9(10,11)12/h3,7,16H,4H2,1-2H3,(H,13,17)
InChIKeyAIPNEGIYIYDGHT-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.38
Rot. Bonds3

About 1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide

1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide (PubChem CID 103730649) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
PubChem CID103730649
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(O)C(F)(F)F)cnn1C
InChIInChI=1S/C9H12F3N3O2/c1-5-6(3-14-15(5)2)8(17)13-4-7(16)9(10,11)12/h3,7,16H,4H2,1-2H3,(H,13,17)
InChIKeyAIPNEGIYIYDGHT-UHFFFAOYSA-N
XLogP0.38
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833340
methyl 3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoate
CID 113344254
methyl 2-chloro-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]propanoate
CID 103492895
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103723314
N-(4-hydroxypentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107299585
N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 76952766
2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 103726330
N-(2,3-dihydroxy-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 66171165
1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dione
CID 17024719
tert-butyl N-[(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methylpropyl]-N-methylcarbamate
CID 96511259
N-(3-amino-3-sulfanylidenepropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 62665555
N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 43419111

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide (CID 103730649) is 1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide is Cc1c(C(=O)NCC(O)C(F)(F)F)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide?
The InChIKey is AIPNEGIYIYDGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-5-6(3-14-15(5)2)8(17)13-4-7(16)9(10,11)12/h3,7,16H,4H2,1-2H3,(H,13,17).
What are the key properties of 1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide?
1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide has a molecular weight of 251.21 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 103730649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).