1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine

C9H11F2N5 — CID 115735746

IUPAC1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine
SMILESFC(F)Cn1ccc(NCc2ncc[nH]2)n1
InChIInChI=1S/C9H11F2N5/c10-7(11)6-16-4-1-8(15-16)14-5-9-12-2-3-13-9/h1-4,7H,5-6H2,(H,12,13)(H,14,15)
InChIKeyOOVFOSDAMVZRTE-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.48
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine

1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine (PubChem CID 115735746) has the molecular formula C9H11F2N5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine
PubChem CID115735746
Molecular FormulaC9H11F2N5
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine
SMILESFC(F)Cn1ccc(NCc2ncc[nH]2)n1
InChIInChI=1S/C9H11F2N5/c10-7(11)6-16-4-1-8(15-16)14-5-9-12-2-3-13-9/h1-4,7H,5-6H2,(H,12,13)(H,14,15)
InChIKeyOOVFOSDAMVZRTE-UHFFFAOYSA-N
XLogP1.48
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)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

Related Compounds

1-(2,2-difluoroethyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine
CID 99620993
1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921015
N-(1H-imidazol-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 64530498
1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine
CID 97338490
1-(2,2-difluoroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]pyrazol-3-amine
CID 100611322
N-(1H-imidazol-2-ylmethyl)-5-methylpyridin-2-amine
CID 64532478
3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline
CID 54976663
3-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)aniline
CID 171673482
3-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine
CID 64547692
4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline
CID 62809674
N-(1H-imidazol-2-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 64531496
2,6-dichloro-4-fluoro-N-(1H-imidazol-2-ylmethyl)aniline
CID 83076307

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine (CID 115735746) is 1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine is FC(F)Cn1ccc(NCc2ncc[nH]2)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine?
The InChIKey is OOVFOSDAMVZRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N5/c10-7(11)6-16-4-1-8(15-16)14-5-9-12-2-3-13-9/h1-4,7H,5-6H2,(H,12,13)(H,14,15).
What are the key properties of 1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine?
1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine has a molecular weight of 227.22 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(1H-imidazol-2-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 115735746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).