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

C11H17F2N3 — CID 115921007

IUPACN-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-3-amine
SMILESCC(CC1CC1)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C11H17F2N3/c1-8(6-9-2-3-9)14-11-4-5-16(15-11)7-10(12)13/h4-5,8-10H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyWEJPQGRAFRQOJW-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.75
Rot. Bonds6

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

N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-3-amine (PubChem CID 115921007) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-3-amine
PubChem CID115921007
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC NameN-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-3-amine
SMILESCC(CC1CC1)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C11H17F2N3/c1-8(6-9-2-3-9)14-11-4-5-16(15-11)7-10(12)13/h4-5,8-10H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyWEJPQGRAFRQOJW-UHFFFAOYSA-N
XLogP2.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Cyclopropylethyl)-1H-pyrazol-5-amine
CID 3782762
5-Cyclopropyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 4767315
4,4-Dimethyl-5-[(1-methylpyrazol-3-yl)amino]pentanenitrile
CID 71851060
1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine
CID 75483532
1-methyl-N-[1-(3-methylbutyl)pyrazol-3-yl]piperidin-4-amine
CID 75483546
N-(2-bicyclo[2.2.1]heptanyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 75483588
1-(2,2-difluoroethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine
CID 97797578
1-[1-(4-Cyanobutan-2-yl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 20451294
5-[3-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrazol-1-yl]pentanimidamide
CID 21279840
1-(5,5-Difluoro-hexyl)-1H-pyrazol-3-ylamine
CID 66928304
1-methyl-N-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 79778362
1-methyl-N-(3,3,3-trifluoropropyl)pyrazol-3-amine
CID 79778959

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-3-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-3-amine (CID 115921007) is N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-3-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-3-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-3-amine is CC(CC1CC1)Nc1ccn(CC(F)F)n1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-3-amine?
The InChIKey is WEJPQGRAFRQOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-8(6-9-2-3-9)14-11-4-5-16(15-11)7-10(12)13/h4-5,8-10H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-3-amine?
N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-3-amine has a molecular weight of 229.27 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 115921007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).