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

C11H19F2N3 — CID 115921005

IUPAC1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-3-amine
SMILESCCC(Nc1ccn(CC(F)F)n1)C(C)C
InChIInChI=1S/C11H19F2N3/c1-4-9(8(2)3)14-11-5-6-16(15-11)7-10(12)13/h5-6,8-10H,4,7H2,1-3H3,(H,14,15)
InChIKeyBMRQVTPCQKCHGI-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.99
Rot. Bonds6

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

1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-3-amine (PubChem CID 115921005) 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-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-3-amine
PubChem CID115921005
Molecular FormulaC11H19F2N3
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-3-amine
SMILESCCC(Nc1ccn(CC(F)F)n1)C(C)C
InChIInChI=1S/C11H19F2N3/c1-4-9(8(2)3)14-11-5-6-16(15-11)7-10(12)13/h5-6,8-10H,4,7H2,1-3H3,(H,14,15)
InChIKeyBMRQVTPCQKCHGI-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-(1-Cyclopropylethyl)-1H-pyrazol-5-amine
CID 3782762
N-ethyl-1-methyl-1H-pyrazol-3-amine
CID 60809330
N-methyl-1-(propan-2-yl)-1H-pyrazol-5-amine
CID 63090550
N-(2-Aminoethyl)-1-methyl-1H-pyrazol-3-amine
CID 84076076
1-(3-Methylbutan-2-yl)-1H-pyrazol-5-amine
CID 16782262
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-3-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-3-amine (CID 115921005) is 1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-3-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-3-amine is CCC(Nc1ccn(CC(F)F)n1)C(C)C.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-3-amine?
The InChIKey is BMRQVTPCQKCHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3/c1-4-9(8(2)3)14-11-5-6-16(15-11)7-10(12)13/h5-6,8-10H,4,7H2,1-3H3,(H,14,15).
What are the key properties of 1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-3-amine?
1-(2,2-difluoroethyl)-N-(2-methylpentan-3-yl)pyrazol-3-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-3-amine is sourced from PubChem (CID 115921005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).