1-butan-2-yl-5-(difluoromethyl)pyrazol-4-amine

C8H13F2N3 — CID 66441034

IUPAC1-butan-2-yl-5-(difluoromethyl)pyrazol-4-amine
SMILESCCC(C)n1ncc(N)c1C(F)F
InChIInChI=1S/C8H13F2N3/c1-3-5(2)13-7(8(9)10)6(11)4-12-13/h4-5,8H,3,11H2,1-2H3
InChIKeyVZKNKEAUESUWNX-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.37
Rot. Bonds3

About 1-butan-2-yl-5-(difluoromethyl)pyrazol-4-amine

1-butan-2-yl-5-(difluoromethyl)pyrazol-4-amine (PubChem CID 66441034) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-butan-2-yl-5-(difluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-(difluoromethyl)pyrazol-4-amine
PubChem CID66441034
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name1-butan-2-yl-5-(difluoromethyl)pyrazol-4-amine
SMILESCCC(C)n1ncc(N)c1C(F)F
InChIInChI=1S/C8H13F2N3/c1-3-5(2)13-7(8(9)10)6(11)4-12-13/h4-5,8H,3,11H2,1-2H3
InChIKeyVZKNKEAUESUWNX-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-(difluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-butan-2-yl-5-(difluoromethyl)pyrazol-4-amine (CID 66441034) is 1-butan-2-yl-5-(difluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-butan-2-yl-5-(difluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-butan-2-yl-5-(difluoromethyl)pyrazol-4-amine is CCC(C)n1ncc(N)c1C(F)F.
What is the InChIKey of 1-butan-2-yl-5-(difluoromethyl)pyrazol-4-amine?
The InChIKey is VZKNKEAUESUWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-3-5(2)13-7(8(9)10)6(11)4-12-13/h4-5,8H,3,11H2,1-2H3.
What are the key properties of 1-butan-2-yl-5-(difluoromethyl)pyrazol-4-amine?
1-butan-2-yl-5-(difluoromethyl)pyrazol-4-amine has a molecular weight of 189.21 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-butan-2-yl-5-(difluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 66441034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).