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

C11H19F2N3 — CID 115885223

IUPAC1-(2,2-difluoroethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine
SMILESCC(C)CC(C)Nc1cnn(CC(F)F)c1
InChIInChI=1S/C11H19F2N3/c1-8(2)4-9(3)15-10-5-14-16(6-10)7-11(12)13/h5-6,8-9,11,15H,4,7H2,1-3H3
InChIKeyZERIPTPEXDZQFZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.99
Rot. Bonds6

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

1-(2,2-difluoroethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine (PubChem CID 115885223) has the molecular formula C11H19F2N3 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine
PubChem CID115885223
Molecular FormulaC11H19F2N3
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name1-(2,2-difluoroethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine
SMILESCC(C)CC(C)Nc1cnn(CC(F)F)c1
InChIInChI=1S/C11H19F2N3/c1-8(2)4-9(3)15-10-5-14-16(6-10)7-11(12)13/h5-6,8-9,11,15H,4,7H2,1-3H3
InChIKeyZERIPTPEXDZQFZ-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-difluoroethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 7015918
1-(Propan-2-yl)-1H-pyrazol-4-amine
CID 13469826
1-(2-methylpropyl)-1H-pyrazol-4-amine
CID 17856047
1-(2,2-difluoroethyl)-1H-pyrazol-4-amine
CID 19576663
1-(Butan-2-yl)-1H-pyrazol-4-amine
CID 43209204
N-ethyl-1-methyl-1H-pyrazol-4-amine
CID 43534862
1-(2,2,2-Trifluoroethyl)-1H-pyrazol-4-amine--hydrogen chloride (1/1)
CID 44630918
1-(2,2-dimethylpropyl)-1H-pyrazol-4-amine
CID 51000375
1-(1-methyl-1H-pyrazol-4-yl)piperidin-3-amine
CID 54593547
1-(1-cyclopropylethyl)-1H-pyrazol-4-amine
CID 61272898
N-methyl-1-(1-methyl-1H-pyrazol-4-yl)piperidin-3-amine
CID 64270757
1-(cyclobutylmethyl)-1H-pyrazol-4-amine
CID 64985324

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine (CID 115885223) is 1-(2,2-difluoroethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine is CC(C)CC(C)Nc1cnn(CC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine?
The InChIKey is ZERIPTPEXDZQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3/c1-8(2)4-9(3)15-10-5-14-16(6-10)7-11(12)13/h5-6,8-9,11,15H,4,7H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine?
1-(2,2-difluoroethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine has a molecular weight of 231.29 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine is sourced from PubChem (CID 115885223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).