1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine

C10H16F2N4 — CID 120909215

IUPAC1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2ccn(C(F)F)n2)CC1N
InChIInChI=1S/C10H16F2N4/c1-7-4-15(6-9(7)13)5-8-2-3-16(14-8)10(11)12/h2-3,7,9-10H,4-6,13H2,1H3
InChIKeyXAVCSNZQSCTJGM-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.06
Rot. Bonds3

About 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine

1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine (PubChem CID 120909215) has the molecular formula C10H16F2N4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine
PubChem CID120909215
Molecular FormulaC10H16F2N4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2ccn(C(F)F)n2)CC1N
InChIInChI=1S/C10H16F2N4/c1-7-4-15(6-9(7)13)5-8-2-3-16(14-8)10(11)12/h2-3,7,9-10H,4-6,13H2,1H3
InChIKeyXAVCSNZQSCTJGM-UHFFFAOYSA-N
XLogP1.06
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine (CID 120909215) is 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine is CC1CN(Cc2ccn(C(F)F)n2)CC1N.
What is the InChIKey of 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine?
The InChIKey is XAVCSNZQSCTJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4/c1-7-4-15(6-9(7)13)5-8-2-3-16(14-8)10(11)12/h2-3,7,9-10H,4-6,13H2,1H3.
What are the key properties of 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine?
1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine has a molecular weight of 230.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 120909215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).