1-(4,4-difluorobutyl)-4-methylpyrazol-3-amine

C8H13F2N3 — CID 165480778

IUPAC1-(4,4-difluorobutyl)-4-methylpyrazol-3-amine
SMILESCc1cn(CCCC(F)F)nc1N
InChIInChI=1S/C8H13F2N3/c1-6-5-13(12-8(6)11)4-2-3-7(9)10/h5,7H,2-4H2,1H3,(H2,11,12)
InChIKeyMILMJLDKNKQARU-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.82
Rot. Bonds4

About 1-(4,4-difluorobutyl)-4-methylpyrazol-3-amine

1-(4,4-difluorobutyl)-4-methylpyrazol-3-amine (PubChem CID 165480778) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(4,4-difluorobutyl)-4-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-(4,4-difluorobutyl)-4-methylpyrazol-3-amine
PubChem CID165480778
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name1-(4,4-difluorobutyl)-4-methylpyrazol-3-amine
SMILESCc1cn(CCCC(F)F)nc1N
InChIInChI=1S/C8H13F2N3/c1-6-5-13(12-8(6)11)4-2-3-7(9)10/h5,7H,2-4H2,1H3,(H2,11,12)
InChIKeyMILMJLDKNKQARU-UHFFFAOYSA-N
XLogP1.82
TPSA43.84 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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorobutyl)-4-methylpyrazol-3-amine?
The IUPAC name of 1-(4,4-difluorobutyl)-4-methylpyrazol-3-amine (CID 165480778) is 1-(4,4-difluorobutyl)-4-methylpyrazol-3-amine.
What is the SMILES notation for 1-(4,4-difluorobutyl)-4-methylpyrazol-3-amine?
The canonical SMILES for 1-(4,4-difluorobutyl)-4-methylpyrazol-3-amine is Cc1cn(CCCC(F)F)nc1N.
What is the InChIKey of 1-(4,4-difluorobutyl)-4-methylpyrazol-3-amine?
The InChIKey is MILMJLDKNKQARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-6-5-13(12-8(6)11)4-2-3-7(9)10/h5,7H,2-4H2,1H3,(H2,11,12).
What are the key properties of 1-(4,4-difluorobutyl)-4-methylpyrazol-3-amine?
1-(4,4-difluorobutyl)-4-methylpyrazol-3-amine has a molecular weight of 189.21 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorobutyl)-4-methylpyrazol-3-amine is sourced from PubChem (CID 165480778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).