N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine

C14H18FN3 — CID 113338388

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
SMILESCc1cc(CNCc2cnn(C)c2C)ccc1F
InChIInChI=1S/C14H18FN3/c1-10-6-12(4-5-14(10)15)7-16-8-13-9-17-18(3)11(13)2/h4-6,9,16H,7-8H2,1-3H3
InChIKeyGVQKWSRMXJCZRA-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.47
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine (PubChem CID 113338388) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
PubChem CID113338388
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
SMILESCc1cc(CNCc2cnn(C)c2C)ccc1F
InChIInChI=1S/C14H18FN3/c1-10-6-12(4-5-14(10)15)7-16-8-13-9-17-18(3)11(13)2/h4-6,9,16H,7-8H2,1-3H3
InChIKeyGVQKWSRMXJCZRA-UHFFFAOYSA-N
XLogP2.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 79578574
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)methanamine;hydrochloride
CID 126964694
1-(4-tert-butylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103851453
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
1-(4-cyclopropylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103528046
4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride
CID 126964973
1-(2-bromo-5-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103859261
4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 19624595
1-(3-cyclopropylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 106037870
4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-ethoxyphenol
CID 103851618
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626535
1-(4-fluoro-3-methylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884423

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine (CID 113338388) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine is Cc1cc(CNCc2cnn(C)c2C)ccc1F.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine?
The InChIKey is GVQKWSRMXJCZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-10-6-12(4-5-14(10)15)7-16-8-13-9-17-18(3)11(13)2/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine has a molecular weight of 247.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 113338388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).