1-(4-fluorophenyl)-1-phenyl-N-(1H-pyrazol-4-ylmethyl)methanamine

C17H16FN3 — CID 61000493

IUPAC1-(4-fluorophenyl)-1-phenyl-N-(1H-pyrazol-4-ylmethyl)methanamine
SMILESFc1ccc(C(NCc2cn[nH]c2)c2ccccc2)cc1
InChIInChI=1S/C17H16FN3/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)19-10-13-11-20-21-12-13/h1-9,11-12,17,19H,10H2,(H,20,21)
InChIKeyLDDXDFHCVIAQOM-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.43
Rot. Bonds5

About 1-(4-fluorophenyl)-1-phenyl-N-(1H-pyrazol-4-ylmethyl)methanamine

1-(4-fluorophenyl)-1-phenyl-N-(1H-pyrazol-4-ylmethyl)methanamine (PubChem CID 61000493) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-phenyl-N-(1H-pyrazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-phenyl-N-(1H-pyrazol-4-ylmethyl)methanamine
PubChem CID61000493
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name1-(4-fluorophenyl)-1-phenyl-N-(1H-pyrazol-4-ylmethyl)methanamine
SMILESFc1ccc(C(NCc2cn[nH]c2)c2ccccc2)cc1
InChIInChI=1S/C17H16FN3/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)19-10-13-11-20-21-12-13/h1-9,11-12,17,19H,10H2,(H,20,21)
InChIKeyLDDXDFHCVIAQOM-UHFFFAOYSA-N
XLogP3.43
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
CID 54897637
1-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 115600103
2-[[(4-fluorophenyl)methylamino]-phenylmethyl]aniline
CID 139982463
1-(4-methylphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 61000601
1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897141
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-1-phenylmethanamine
CID 71968624
4-[[[4-[phenyl-(sulfinatoamino)methyl]phenyl]carbamoylamino]methyl]-1H-pyrazole
CID 174214469
N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 61000273
2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine
CID 43185219
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
N-[(4-fluorophenyl)-phenylmethyl]-2,2-dimethoxyethanamine
CID 60816952
2-fluoro-N-(1H-pyrazol-4-ylmethyl)aniline
CID 130629181

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-phenyl-N-(1H-pyrazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(4-fluorophenyl)-1-phenyl-N-(1H-pyrazol-4-ylmethyl)methanamine (CID 61000493) is 1-(4-fluorophenyl)-1-phenyl-N-(1H-pyrazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-phenyl-N-(1H-pyrazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-1-phenyl-N-(1H-pyrazol-4-ylmethyl)methanamine is Fc1ccc(C(NCc2cn[nH]c2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-1-phenyl-N-(1H-pyrazol-4-ylmethyl)methanamine?
The InChIKey is LDDXDFHCVIAQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)19-10-13-11-20-21-12-13/h1-9,11-12,17,19H,10H2,(H,20,21).
What are the key properties of 1-(4-fluorophenyl)-1-phenyl-N-(1H-pyrazol-4-ylmethyl)methanamine?
1-(4-fluorophenyl)-1-phenyl-N-(1H-pyrazol-4-ylmethyl)methanamine has a molecular weight of 281.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-phenyl-N-(1H-pyrazol-4-ylmethyl)methanamine is sourced from PubChem (CID 61000493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).