1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine

C10H17F2N3 — CID 97338490

IUPAC1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine
SMILESCC(C)[C@H](C)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C10H17F2N3/c1-7(2)8(3)13-10-4-5-15(14-10)6-9(11)12/h4-5,7-9H,6H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyXSDVQIIJNRYCOO-QMMMGPOBSA-N
MW217.26 g/mol
LogP2.60
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine

1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine (PubChem CID 97338490) has the molecular formula C10H17F2N3 and a molecular weight of 217.26 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine
PubChem CID97338490
Molecular FormulaC10H17F2N3
Molecular Weight217.26 g/mol
Exact Mass217.14
IUPAC Name1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine
SMILESCC(C)[C@H](C)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C10H17F2N3/c1-7(2)8(3)13-10-4-5-15(14-10)6-9(11)12/h4-5,7-9H,6H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyXSDVQIIJNRYCOO-QMMMGPOBSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.60
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
N-(3-methylbutan-2-yl)-1-(3-methylbutyl)pyrazol-3-amine
CID 115921805
1-(2,2-difluoroethyl)-N-(2,2-dimethylpropyl)pyrazol-3-amine
CID 115698091
N-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine
CID 130496141
(2S)-2-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide
CID 119341236
3-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide;hydrochloride
CID 119341237
1-(2,2-difluoroethyl)-3-methoxypyrazole
CID 141431612
3-tert-butyl-1-(2,2-difluoroethyl)pyrazole
CID 154655757
1-ethyl-N-[1-(4-fluorophenyl)ethyl]pyrazol-3-amine
CID 114251809
N-butan-2-yl-1-ethylpyrazol-3-amine
CID 130496120
1-(2,2-difluoroethyl)-N-(oxolan-3-yl)pyrazol-3-amine
CID 115735755
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-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine (CID 97338490) is 1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine is CC(C)[C@H](C)Nc1ccn(CC(F)F)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine?
The InChIKey is XSDVQIIJNRYCOO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17F2N3/c1-7(2)8(3)13-10-4-5-15(14-10)6-9(11)12/h4-5,7-9H,6H2,1-3H3,(H,13,14)/t8-/m0/s1.
What are the key properties of 1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine?
1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine has a molecular weight of 217.26 g/mol, XLogP of 2.60, 5 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-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine is sourced from PubChem (CID 97338490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).