1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride

C12H13ClF3N3 — CID 126966938

IUPAC1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride
SMILESCc1nn(C(F)F)cc1NCc1cccc(F)c1.Cl
InChIInChI=1S/C12H12F3N3.ClH/c1-8-11(7-18(17-8)12(14)15)16-6-9-3-2-4-10(13)5-9;/h2-5,7,12,16H,6H2,1H3;1H
InChIKeyKFPWVHFSAOZFNK-UHFFFAOYSA-N
MW291.70 g/mol
LogP3.76
Rot. Bonds4

About 1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride

1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride (PubChem CID 126966938) has the molecular formula C12H13ClF3N3 and a molecular weight of 291.70 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride
PubChem CID126966938
Molecular FormulaC12H13ClF3N3
Molecular Weight291.70 g/mol
Exact Mass291.08
IUPAC Name1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride
SMILESCc1nn(C(F)F)cc1NCc1cccc(F)c1.Cl
InChIInChI=1S/C12H12F3N3.ClH/c1-8-11(7-18(17-8)12(14)15)16-6-9-3-2-4-10(13)5-9;/h2-5,7,12,16H,6H2,1H3;1H
InChIKeyKFPWVHFSAOZFNK-UHFFFAOYSA-N
XLogP3.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride 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

N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 122168310
1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-3-methylpyrazol-4-amine
CID 122168109
N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126968207
1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride
CID 126967481
N-[(3-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664321
2-[[1-(difluoromethyl)-3-methylpyrazol-4-yl]amino]acetic acid
CID 154882073
N-[(3-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)pyrazol-3-amine
CID 122168375
2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline
CID 28879450
N-[(3-fluorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329306
N-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43707229
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
CID 126965744
1-(2,2-difluoroethyl)-N-[(3-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride
CID 126966884

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride?
The IUPAC name of 1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride (CID 126966938) is 1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride is Cc1nn(C(F)F)cc1NCc1cccc(F)c1.Cl.
What is the InChIKey of 1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride?
The InChIKey is KFPWVHFSAOZFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3.ClH/c1-8-11(7-18(17-8)12(14)15)16-6-9-3-2-4-10(13)5-9;/h2-5,7,12,16H,6H2,1H3;1H.
What are the key properties of 1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride?
1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride has a molecular weight of 291.70 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126966938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).