N-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

C9H14F3N3O — CID 115929495

IUPACN-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCOCC(C)Nc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C9H14F3N3O/c1-7(5-16-2)13-8-3-4-15(14-8)6-9(10,11)12/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyIHMILISCUFAAHL-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.89
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

N-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (PubChem CID 115929495) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
PubChem CID115929495
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC NameN-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCOCC(C)Nc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C9H14F3N3O/c1-7(5-16-2)13-8-3-4-15(14-8)6-9(10,11)12/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyIHMILISCUFAAHL-UHFFFAOYSA-N
XLogP1.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-1H-pyrazol-3-amine
CID 45116728
N-ethyl-1-methyl-1H-pyrazol-3-amine
CID 60809330
1-(oxetan-3-yl)-1H-pyrazol-3-amine
CID 145875913
1-(3-methoxypropyl)-N-(oxan-4-yl)pyrazol-3-amine
CID 71918463
1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazol-3-amine
CID 61490885
N-(2-Methoxyethyl)-N'-(1-methyl-1H-pyrazol-3-YL)thiourea
CID 2169101
N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-3-amine
CID 71921295
1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine
CID 75483532
1-(3-methylbutyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine
CID 75483545
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2S)-2-morpholin-4-ylpropyl]urea
CID 95788724
N-ethyl-2-[3-[[(2S)-1-methoxypropan-2-yl]amino]pyrazol-1-yl]acetamide
CID 97338499
2-butyl-N-[(3S)-oxan-3-yl]pyrazol-3-amine
CID 97801493

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (CID 115929495) is N-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is COCC(C)Nc1ccn(CC(F)(F)F)n1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The InChIKey is IHMILISCUFAAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-7(5-16-2)13-8-3-4-15(14-8)6-9(10,11)12/h3-4,7H,5-6H2,1-2H3,(H,13,14).
What are the key properties of N-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
N-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-amine has a molecular weight of 237.22 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 115929495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).