1-(difluoromethyl)-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine

C9H11F2N5 — CID 122166547

IUPAC1-(difluoromethyl)-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
SMILESCn1ccc(CNc2ccn(C(F)F)n2)n1
InChIInChI=1S/C9H11F2N5/c1-15-4-2-7(13-15)6-12-8-3-5-16(14-8)9(10)11/h2-5,9H,6H2,1H3,(H,12,14)
InChIKeyXZUFTCZRSNRGHL-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.62
Rot. Bonds4

About 1-(difluoromethyl)-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine

1-(difluoromethyl)-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine (PubChem CID 122166547) has the molecular formula C9H11F2N5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
PubChem CID122166547
Molecular FormulaC9H11F2N5
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name1-(difluoromethyl)-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
SMILESCn1ccc(CNc2ccn(C(F)F)n2)n1
InChIInChI=1S/C9H11F2N5/c1-15-4-2-7(13-15)6-12-8-3-5-16(14-8)9(10)11/h2-5,9H,6H2,1H3,(H,12,14)
InChIKeyXZUFTCZRSNRGHL-UHFFFAOYSA-N
XLogP1.62
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(difluoromethyl)-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-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-(difluoromethyl)-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-(difluoromethyl)-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine (CID 122166547) is 1-(difluoromethyl)-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-(difluoromethyl)-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-(difluoromethyl)-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine is Cn1ccc(CNc2ccn(C(F)F)n2)n1.
What is the InChIKey of 1-(difluoromethyl)-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
The InChIKey is XZUFTCZRSNRGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N5/c1-15-4-2-7(13-15)6-12-8-3-5-16(14-8)9(10)11/h2-5,9H,6H2,1H3,(H,12,14).
What are the key properties of 1-(difluoromethyl)-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
1-(difluoromethyl)-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine has a molecular weight of 227.22 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 122166547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).