1-(4-fluorophenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine

C15H20FN3 — CID 122168378

IUPAC1-(4-fluorophenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine
SMILESCC(C)c1cc(CNCc2ccc(F)cc2)n(C)n1
InChIInChI=1S/C15H20FN3/c1-11(2)15-8-14(19(3)18-15)10-17-9-12-4-6-13(16)7-5-12/h4-8,11,17H,9-10H2,1-3H3
InChIKeyOSGVZPQZLNCNNE-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.97
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine

1-(4-fluorophenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine (PubChem CID 122168378) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine
PubChem CID122168378
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-(4-fluorophenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine
SMILESCC(C)c1cc(CNCc2ccc(F)cc2)n(C)n1
InChIInChI=1S/C15H20FN3/c1-11(2)15-8-14(19(3)18-15)10-17-9-12-4-6-13(16)7-5-12/h4-8,11,17H,9-10H2,1-3H3
InChIKeyOSGVZPQZLNCNNE-UHFFFAOYSA-N
XLogP2.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine 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-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126967265
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 122167004
1-(4-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine
CID 115682021
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride
CID 126967328
1-(4-fluorophenyl)-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride
CID 126965807
N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-(5-methyl-2-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126965951
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride
CID 126964300
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 122165886
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine
CID 122167165
5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66019338
1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618962
N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)ethanamine
CID 19625057

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine (CID 122168378) is 1-(4-fluorophenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine is CC(C)c1cc(CNCc2ccc(F)cc2)n(C)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine?
The InChIKey is OSGVZPQZLNCNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-11(2)15-8-14(19(3)18-15)10-17-9-12-4-6-13(16)7-5-12/h4-8,11,17H,9-10H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine?
1-(4-fluorophenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine has a molecular weight of 261.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 122168378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).