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

C9H15F2N3O — CID 115674825

IUPAC1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine
SMILESCOCC(C)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C9H15F2N3O/c1-7(6-15-2)12-9-3-4-14(13-9)5-8(10)11/h3-4,7-8H,5-6H2,1-2H3,(H,12,13)
InChIKeyUYHOHNOTDKTWBQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.60
Rot. Bonds6

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

1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine (PubChem CID 115674825) has the molecular formula C9H15F2N3O and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine
PubChem CID115674825
Molecular FormulaC9H15F2N3O
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Name1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine
SMILESCOCC(C)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C9H15F2N3O/c1-7(6-15-2)12-9-3-4-14(13-9)5-8(10)11/h3-4,7-8H,5-6H2,1-2H3,(H,12,13)
InChIKeyUYHOHNOTDKTWBQ-UHFFFAOYSA-N
XLogP1.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.60
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 1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine (CID 115674825) is 1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine is COCC(C)Nc1ccn(CC(F)F)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine?
The InChIKey is UYHOHNOTDKTWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O/c1-7(6-15-2)12-9-3-4-14(13-9)5-8(10)11/h3-4,7-8H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine?
1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine has a molecular weight of 219.24 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine is sourced from PubChem (CID 115674825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).