1-(2,2-difluoroethyl)-N-(2,2-dimethylpropyl)pyrazol-3-amine

C10H17F2N3 — CID 115698091

IUPAC1-(2,2-difluoroethyl)-N-(2,2-dimethylpropyl)pyrazol-3-amine
SMILESCC(C)(C)CNc1ccn(CC(F)F)n1
InChIInChI=1S/C10H17F2N3/c1-10(2,3)7-13-9-4-5-15(14-9)6-8(11)12/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyRLZZDMKPZVPDRO-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.61
Rot. Bonds4

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

1-(2,2-difluoroethyl)-N-(2,2-dimethylpropyl)pyrazol-3-amine (PubChem CID 115698091) has the molecular formula C10H17F2N3 and a molecular weight of 217.26 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(2,2-dimethylpropyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(2,2-dimethylpropyl)pyrazol-3-amine
PubChem CID115698091
Molecular FormulaC10H17F2N3
Molecular Weight217.26 g/mol
Exact Mass217.14
IUPAC Name1-(2,2-difluoroethyl)-N-(2,2-dimethylpropyl)pyrazol-3-amine
SMILESCC(C)(C)CNc1ccn(CC(F)F)n1
InChIInChI=1S/C10H17F2N3/c1-10(2,3)7-13-9-4-5-15(14-9)6-8(11)12/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyRLZZDMKPZVPDRO-UHFFFAOYSA-N
XLogP2.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921015
1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine
CID 97338490
1-(2,2-difluoroethyl)-3-(2,2-dimethylpropyl)pyrazole
CID 135157683
3-tert-butyl-1-(2,2-difluoroethyl)pyrazole
CID 154655757
1-(2,2-difluoroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]pyrazol-3-amine
CID 100611322
1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine
CID 115735746
1-(2,2-difluoroethyl)-3-methoxypyrazole
CID 141431612
(2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide
CID 119341236
1-(2,2-difluoroethyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine
CID 99620993
3-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide;hydrochloride
CID 119341237
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-5-nitropyridin-2-amine
CID 71862860
1-(2,2-difluoroethyl)-N-[(3S)-thiolan-3-yl]pyrazol-3-amine
CID 97338492

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(2,2-dimethylpropyl)pyrazol-3-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(2,2-dimethylpropyl)pyrazol-3-amine (CID 115698091) is 1-(2,2-difluoroethyl)-N-(2,2-dimethylpropyl)pyrazol-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(2,2-dimethylpropyl)pyrazol-3-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(2,2-dimethylpropyl)pyrazol-3-amine is CC(C)(C)CNc1ccn(CC(F)F)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(2,2-dimethylpropyl)pyrazol-3-amine?
The InChIKey is RLZZDMKPZVPDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3/c1-10(2,3)7-13-9-4-5-15(14-9)6-8(11)12/h4-5,8H,6-7H2,1-3H3,(H,13,14).
What are the key properties of 1-(2,2-difluoroethyl)-N-(2,2-dimethylpropyl)pyrazol-3-amine?
1-(2,2-difluoroethyl)-N-(2,2-dimethylpropyl)pyrazol-3-amine has a molecular weight of 217.26 g/mol, XLogP of 2.61, 4 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-(2,2-dimethylpropyl)pyrazol-3-amine is sourced from PubChem (CID 115698091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).