1-(1-cyclopropylethyl)-5-(difluoromethyl)pyrazol-4-amine

C9H13F2N3 — CID 66441636

IUPAC1-(1-cyclopropylethyl)-5-(difluoromethyl)pyrazol-4-amine
SMILESCC(C1CC1)n1ncc(N)c1C(F)F
InChIInChI=1S/C9H13F2N3/c1-5(6-2-3-6)14-8(9(10)11)7(12)4-13-14/h4-6,9H,2-3,12H2,1H3
InChIKeyYBHYNPKKDRMAEN-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.37
Rot. Bonds3

About 1-(1-cyclopropylethyl)-5-(difluoromethyl)pyrazol-4-amine

1-(1-cyclopropylethyl)-5-(difluoromethyl)pyrazol-4-amine (PubChem CID 66441636) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-5-(difluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-5-(difluoromethyl)pyrazol-4-amine
PubChem CID66441636
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name1-(1-cyclopropylethyl)-5-(difluoromethyl)pyrazol-4-amine
SMILESCC(C1CC1)n1ncc(N)c1C(F)F
InChIInChI=1S/C9H13F2N3/c1-5(6-2-3-6)14-8(9(10)11)7(12)4-13-14/h4-6,9H,2-3,12H2,1H3
InChIKeyYBHYNPKKDRMAEN-UHFFFAOYSA-N
XLogP2.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-5-(difluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-(1-cyclopropylethyl)-5-(difluoromethyl)pyrazol-4-amine (CID 66441636) is 1-(1-cyclopropylethyl)-5-(difluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(1-cyclopropylethyl)-5-(difluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-(1-cyclopropylethyl)-5-(difluoromethyl)pyrazol-4-amine is CC(C1CC1)n1ncc(N)c1C(F)F.
What is the InChIKey of 1-(1-cyclopropylethyl)-5-(difluoromethyl)pyrazol-4-amine?
The InChIKey is YBHYNPKKDRMAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-5(6-2-3-6)14-8(9(10)11)7(12)4-13-14/h4-6,9H,2-3,12H2,1H3.
What are the key properties of 1-(1-cyclopropylethyl)-5-(difluoromethyl)pyrazol-4-amine?
1-(1-cyclopropylethyl)-5-(difluoromethyl)pyrazol-4-amine has a molecular weight of 201.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-5-(difluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 66441636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).