1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride

C13H16ClF2N3 — CID 126967554

IUPAC1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
SMILESCCn1cc(CNCc2cc(F)ccc2F)cn1.Cl
InChIInChI=1S/C13H15F2N3.ClH/c1-2-18-9-10(7-17-18)6-16-8-11-5-12(14)3-4-13(11)15;/h3-5,7,9,16H,2,6,8H2,1H3;1H
InChIKeyFRSLGCJYBVAABH-UHFFFAOYSA-N
MW287.74 g/mol
LogP2.89
Rot. Bonds5

About 1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride

1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride (PubChem CID 126967554) has the molecular formula C13H16ClF2N3 and a molecular weight of 287.74 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
PubChem CID126967554
Molecular FormulaC13H16ClF2N3
Molecular Weight287.74 g/mol
Exact Mass287.10
IUPAC Name1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
SMILESCCn1cc(CNCc2cc(F)ccc2F)cn1.Cl
InChIInChI=1S/C13H15F2N3.ClH/c1-2-18-9-10(7-17-18)6-16-8-11-5-12(14)3-4-13(11)15;/h3-5,7,9,16H,2,6,8H2,1H3;1H
InChIKeyFRSLGCJYBVAABH-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;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

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
N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine
CID 19624929
N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 105375094
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627439
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
1-(3,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126968095
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 19625453
N-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 60956581
1-(1-ethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride
CID 126965103
N-[(1-ethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 104665276

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride (CID 126967554) is 1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride is CCn1cc(CNCc2cc(F)ccc2F)cn1.Cl.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride?
The InChIKey is FRSLGCJYBVAABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3.ClH/c1-2-18-9-10(7-17-18)6-16-8-11-5-12(14)3-4-13(11)15;/h3-5,7,9,16H,2,6,8H2,1H3;1H.
What are the key properties of 1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride?
1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride has a molecular weight of 287.74 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 126967554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).