1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]-N-methylmethanamine

C13H15F2N3 — CID 116790455

IUPAC1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(CC(F)(F)c2ccccc2)c1
InChIInChI=1S/C13H15F2N3/c1-16-7-11-8-17-18(9-11)10-13(14,15)12-5-3-2-4-6-12/h2-6,8-9,16H,7,10H2,1H3
InChIKeyUBEZGXAQQQWWQF-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.39
Rot. Bonds5

About 1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]-N-methylmethanamine

1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]-N-methylmethanamine (PubChem CID 116790455) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]-N-methylmethanamine
PubChem CID116790455
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(CC(F)(F)c2ccccc2)c1
InChIInChI=1S/C13H15F2N3/c1-16-7-11-8-17-18(9-11)10-13(14,15)12-5-3-2-4-6-12/h2-6,8-9,16H,7,10H2,1H3
InChIKeyUBEZGXAQQQWWQF-UHFFFAOYSA-N
XLogP2.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]-N-methylmethanamine 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-methyl-1-[1-(3-phenylprop-2-enyl)pyrazol-4-yl]methanamine
CID 155896567
N-[1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 116790465
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730652
1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730113
1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730298
N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine
CID 62731582
1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 55110682
N-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 150074108
N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine
CID 62771701
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 104794788
3-[(1-benzylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857456
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 54886659

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]-N-methylmethanamine (CID 116790455) is 1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]-N-methylmethanamine is CNCc1cnn(CC(F)(F)c2ccccc2)c1.
What is the InChIKey of 1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is UBEZGXAQQQWWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-16-7-11-8-17-18(9-11)10-13(14,15)12-5-3-2-4-6-12/h2-6,8-9,16H,7,10H2,1H3.
What are the key properties of 1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]-N-methylmethanamine?
1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 251.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 116790455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).