(1S)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-methylpropan-1-amine

C8H13F2N3 — CID 166163929

IUPAC(1S)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-methylpropan-1-amine
SMILESCC(C)[C@H](N)c1ccn(C(F)F)n1
InChIInChI=1S/C8H13F2N3/c1-5(2)7(11)6-3-4-13(12-6)8(9)10/h3-5,7-8H,11H2,1-2H3/t7-/m0/s1
InChIKeyQIQKANKJJNYZLI-ZETCQYMHSA-N
MW189.21 g/mol
LogP1.93
Rot. Bonds3

About (1S)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-methylpropan-1-amine

(1S)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-methylpropan-1-amine (PubChem CID 166163929) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is (1S)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-methylpropan-1-amine
PubChem CID166163929
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name(1S)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-methylpropan-1-amine
SMILESCC(C)[C@H](N)c1ccn(C(F)F)n1
InChIInChI=1S/C8H13F2N3/c1-5(2)7(11)6-3-4-13(12-6)8(9)10/h3-5,7-8H,11H2,1-2H3/t7-/m0/s1
InChIKeyQIQKANKJJNYZLI-ZETCQYMHSA-N
XLogP1.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-methylpropan-1-amine?
The IUPAC name of (1S)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-methylpropan-1-amine (CID 166163929) is (1S)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for (1S)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for (1S)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-methylpropan-1-amine is CC(C)[C@H](N)c1ccn(C(F)F)n1.
What is the InChIKey of (1S)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-methylpropan-1-amine?
The InChIKey is QIQKANKJJNYZLI-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-5(2)7(11)6-3-4-13(12-6)8(9)10/h3-5,7-8H,11H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-methylpropan-1-amine?
(1S)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-methylpropan-1-amine has a molecular weight of 189.21 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(difluoromethyl)pyrazol-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 166163929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).