1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-4-amine

C11H19F2N3 — CID 115921535

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

About 1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-4-amine

1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-4-amine (PubChem CID 115921535) has the molecular formula C11H19F2N3 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-4-amine
PubChem CID115921535
Molecular FormulaC11H19F2N3
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-4-amine
SMILESCCC(Nc1cnn(CC(F)F)c1)C(C)C
InChIInChI=1S/C11H19F2N3/c1-4-10(8(2)3)15-9-5-14-16(6-9)7-11(12)13/h5-6,8,10-11,15H,4,7H2,1-3H3
InChIKeyZRSZZSXOMOQUPD-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

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Related Compounds

1-Ethyl-1h-pyrazol-4-amine
CID 7018640
1-[2-(diethylamino)ethyl]-1H-pyrazol-4-amine
CID 42281880
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-propyl-1H-pyrazol-4-amine
CID 19620834
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-(difluoromethyl)-1H-pyrazol-4-amine hydrochloride
CID 47002394
1-(2,2-dimethylpropyl)-1H-pyrazol-4-amine
CID 51000375

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-4-amine (CID 115921535) is 1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-4-amine is CCC(Nc1cnn(CC(F)F)c1)C(C)C.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-4-amine?
The InChIKey is ZRSZZSXOMOQUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3/c1-4-10(8(2)3)15-9-5-14-16(6-9)7-11(12)13/h5-6,8,10-11,15H,4,7H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-4-amine?
1-(2,2-difluoroethyl)-N-(2-methylpentan-3-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-(2-methylpentan-3-yl)pyrazol-4-amine is sourced from PubChem (CID 115921535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).