N-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine

C8H13F2N3 — CID 130496141

IUPACN-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine
SMILESCCn1ccc(NC(C)C(F)F)n1
InChIInChI=1S/C8H13F2N3/c1-3-13-5-4-7(12-13)11-6(2)8(9)10/h4-6,8H,3H2,1-2H3,(H,11,12)
InChIKeyYISFTAXEYQFWPR-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.97
Rot. Bonds4

About N-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine

N-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine (PubChem CID 130496141) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine
PubChem CID130496141
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC NameN-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine
SMILESCCn1ccc(NC(C)C(F)F)n1
InChIInChI=1S/C8H13F2N3/c1-3-13-5-4-7(12-13)11-6(2)8(9)10/h4-6,8H,3H2,1-2H3,(H,11,12)
InChIKeyYISFTAXEYQFWPR-UHFFFAOYSA-N
XLogP1.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-1-ethylpyrazol-3-amine
CID 130496120
2-[(1-ethylpyrazol-3-yl)amino]propanenitrile
CID 130496243
1-ethyl-N-[1-(4-fluorophenyl)ethyl]pyrazol-3-amine
CID 114251809
1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine
CID 97338490
1-ethyl-N-(1-phenylpropan-2-yl)pyrazol-3-amine
CID 114251813
1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921015
1-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]pyrazol-3-amine
CID 114251787
3-[(1-ethylpyrazol-3-yl)amino]-2-methylpropanenitrile
CID 130496237
N-(3-methylbutan-2-yl)-1-(3-methylbutyl)pyrazol-3-amine
CID 115921805
1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 114252049
1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine
CID 114251829
N-pentan-3-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 115929500

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine (CID 130496141) is N-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine is CCn1ccc(NC(C)C(F)F)n1.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine?
The InChIKey is YISFTAXEYQFWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-3-13-5-4-7(12-13)11-6(2)8(9)10/h4-6,8H,3H2,1-2H3,(H,11,12).
What are the key properties of N-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine?
N-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine has a molecular weight of 189.21 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine is sourced from PubChem (CID 130496141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).