1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine

C10H17F2N3 — CID 63095309

IUPAC1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1c(C)nn(C(F)F)c1C
InChIInChI=1S/C10H17F2N3/c1-4-8(13)5-9-6(2)14-15(7(9)3)10(11)12/h8,10H,4-5,13H2,1-3H3
InChIKeyAUMGKVZGPGDVEB-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.17
Rot. Bonds4

About 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine

1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine (PubChem CID 63095309) has the molecular formula C10H17F2N3 and a molecular weight of 217.26 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine
PubChem CID63095309
Molecular FormulaC10H17F2N3
Molecular Weight217.26 g/mol
Exact Mass217.14
IUPAC Name1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1c(C)nn(C(F)F)c1C
InChIInChI=1S/C10H17F2N3/c1-4-8(13)5-9-6(2)14-15(7(9)3)10(11)12/h8,10H,4-5,13H2,1-3H3
InChIKeyAUMGKVZGPGDVEB-UHFFFAOYSA-N
XLogP2.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine?
The IUPAC name of 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine (CID 63095309) is 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine is CCC(N)Cc1c(C)nn(C(F)F)c1C.
What is the InChIKey of 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine?
The InChIKey is AUMGKVZGPGDVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3/c1-4-8(13)5-9-6(2)14-15(7(9)3)10(11)12/h8,10H,4-5,13H2,1-3H3.
What are the key properties of 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine?
1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine has a molecular weight of 217.26 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine is sourced from PubChem (CID 63095309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).