N-(difluoromethyl)-1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-amine

C10H17F2N3 — CID 58561142

IUPACN-(difluoromethyl)-1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-amine
SMILESCc1c(NC(F)F)c(CC(C)C)nn1C
InChIInChI=1S/C10H17F2N3/c1-6(2)5-8-9(13-10(11)12)7(3)15(4)14-8/h6,10,13H,5H2,1-4H3
InChIKeyFNDNPTJPDOGRET-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.56
Rot. Bonds4

About N-(difluoromethyl)-1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-amine

N-(difluoromethyl)-1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-amine (PubChem CID 58561142) has the molecular formula C10H17F2N3 and a molecular weight of 217.26 g/mol. Its IUPAC name is N-(difluoromethyl)-1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-(difluoromethyl)-1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-amine
PubChem CID58561142
Molecular FormulaC10H17F2N3
Molecular Weight217.26 g/mol
Exact Mass217.14
IUPAC NameN-(difluoromethyl)-1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-amine
SMILESCc1c(NC(F)F)c(CC(C)C)nn1C
InChIInChI=1S/C10H17F2N3/c1-6(2)5-8-9(13-10(11)12)7(3)15(4)14-8/h6,10,13H,5H2,1-4H3
InChIKeyFNDNPTJPDOGRET-UHFFFAOYSA-N
XLogP2.56
TPSA29.85 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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-amine?
The IUPAC name of N-(difluoromethyl)-1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-amine (CID 58561142) is N-(difluoromethyl)-1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-amine.
What is the SMILES notation for N-(difluoromethyl)-1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-amine?
The canonical SMILES for N-(difluoromethyl)-1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-amine is Cc1c(NC(F)F)c(CC(C)C)nn1C.
What is the InChIKey of N-(difluoromethyl)-1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-amine?
The InChIKey is FNDNPTJPDOGRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3/c1-6(2)5-8-9(13-10(11)12)7(3)15(4)14-8/h6,10,13H,5H2,1-4H3.
What are the key properties of N-(difluoromethyl)-1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-amine?
N-(difluoromethyl)-1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-amine has a molecular weight of 217.26 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-1,5-dimethyl-3-(2-methylpropyl)pyrazol-4-amine is sourced from PubChem (CID 58561142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).