N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-4-amine

C11H17F2N3 — CID 115921537

IUPACN-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-4-amine
SMILESCC(CC1CC1)Nc1cnn(CC(F)F)c1
InChIInChI=1S/C11H17F2N3/c1-8(4-9-2-3-9)15-10-5-14-16(6-10)7-11(12)13/h5-6,8-9,11,15H,2-4,7H2,1H3
InChIKeyNSQQCRGOFZTSSD-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.75
Rot. Bonds6

About N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-4-amine

N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-4-amine (PubChem CID 115921537) 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-4-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-4-amine
PubChem CID115921537
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC NameN-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-4-amine
SMILESCC(CC1CC1)Nc1cnn(CC(F)F)c1
InChIInChI=1S/C11H17F2N3/c1-8(4-9-2-3-9)15-10-5-14-16(6-10)7-11(12)13/h5-6,8-9,11,15H,2-4,7H2,1H3
InChIKeyNSQQCRGOFZTSSD-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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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-4-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-4-amine (CID 115921537) is N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-4-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-4-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-4-amine is CC(CC1CC1)Nc1cnn(CC(F)F)c1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-4-amine?
The InChIKey is NSQQCRGOFZTSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-8(4-9-2-3-9)15-10-5-14-16(6-10)7-11(12)13/h5-6,8-9,11,15H,2-4,7H2,1H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-4-amine?
N-(1-cyclopropylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazol-4-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-4-amine is sourced from PubChem (CID 115921537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).