N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-methylpyrazol-3-amine

C15H14FN3S — CID 61103625

IUPACN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-methylpyrazol-3-amine
SMILESCn1ccc(NCc2ccc(F)c(-c3cccs3)c2)n1
InChIInChI=1S/C15H14FN3S/c1-19-7-6-15(18-19)17-10-11-4-5-13(16)12(9-11)14-3-2-8-20-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyGHIOXYGAJAKDAU-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.90
Rot. Bonds4

About N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-methylpyrazol-3-amine

N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-methylpyrazol-3-amine (PubChem CID 61103625) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-methylpyrazol-3-amine
PubChem CID61103625
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-methylpyrazol-3-amine
SMILESCn1ccc(NCc2ccc(F)c(-c3cccs3)c2)n1
InChIInChI=1S/C15H14FN3S/c1-19-7-6-15(18-19)17-10-11-4-5-13(16)12(9-11)14-3-2-8-20-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyGHIOXYGAJAKDAU-UHFFFAOYSA-N
XLogP3.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline
CID 63420445
4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
CID 63422472
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 107648578
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine
CID 83010258
4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol
CID 61103429
1-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyrazol-3-amine
CID 60809961
3-fluoro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
CID 63422959
N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 82709130
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656201
(1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81391284
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 61104385
1-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrazol-3-amine
CID 54921126

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-methylpyrazol-3-amine (CID 61103625) is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-methylpyrazol-3-amine is Cn1ccc(NCc2ccc(F)c(-c3cccs3)c2)n1.
What is the InChIKey of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-methylpyrazol-3-amine?
The InChIKey is GHIOXYGAJAKDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c1-19-7-6-15(18-19)17-10-11-4-5-13(16)12(9-11)14-3-2-8-20-14/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-methylpyrazol-3-amine?
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-methylpyrazol-3-amine has a molecular weight of 287.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 61103625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).