N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine

C13H16FN3 — CID 19624929

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine
SMILESCCn1cc(CNCc2ccccc2F)cn1
InChIInChI=1S/C13H16FN3/c1-2-17-10-11(8-16-17)7-15-9-12-5-3-4-6-13(12)14/h3-6,8,10,15H,2,7,9H2,1H3
InChIKeyMZCVTDUZXPQPRF-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.33
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine

N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine (PubChem CID 19624929) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine
PubChem CID19624929
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine
SMILESCCn1cc(CNCc2ccccc2F)cn1
InChIInChI=1S/C13H16FN3/c1-2-17-10-11(8-16-17)7-15-9-12-5-3-4-6-13(12)14/h3-6,8,10,15H,2,7,9H2,1H3
InChIKeyMZCVTDUZXPQPRF-UHFFFAOYSA-N
XLogP2.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)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

1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126967554
1-(2,3-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122168314
1-(2,3-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride
CID 126967136
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126965886
2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64831314
1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674451
N-[(1-ethylpyrazol-4-yl)methyl]-1-[4-fluoro-2-(methylsulfanylmethyl)phenyl]methanamine
CID 71855436
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627439
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 19625453
N-[(1-ethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 104665276
1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103673603

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine (CID 19624929) is N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine is CCn1cc(CNCc2ccccc2F)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine?
The InChIKey is MZCVTDUZXPQPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-2-17-10-11(8-16-17)7-15-9-12-5-3-4-6-13(12)14/h3-6,8,10,15H,2,7,9H2,1H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine?
N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine has a molecular weight of 233.29 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine is sourced from PubChem (CID 19624929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).