4-fluoro-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline

C15H14FN3S — CID 43764924

IUPAC4-fluoro-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
SMILESCc1cc(F)ccc1NCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C15H14FN3S/c1-10-7-12(16)4-5-13(10)17-8-11-9-18-19-15(11)14-3-2-6-20-14/h2-7,9,17H,8H2,1H3,(H,18,19)
InChIKeySHYMZHABSGSOEN-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.20
Rot. Bonds4

About 4-fluoro-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline

4-fluoro-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline (PubChem CID 43764924) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
PubChem CID43764924
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name4-fluoro-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
SMILESCc1cc(F)ccc1NCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C15H14FN3S/c1-10-7-12(16)4-5-13(10)17-8-11-9-18-19-15(11)14-3-2-6-20-14/h2-7,9,17H,8H2,1H3,(H,18,19)
InChIKeySHYMZHABSGSOEN-UHFFFAOYSA-N
XLogP4.20
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43758839
4-chloro-2-fluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43785115
2,6-dichloro-4-fluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 83078504
2-methoxy-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43757837
2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 79041980
3,4,5-trifluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 62809140
2-(4-fluorophenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 154834574
2-(methoxymethyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43779830
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]thiophen-3-amine
CID 66349893
(1R)-1-(3-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81368214
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-1H-indazol-4-amine
CID 60931249
2-bromo-6-chloro-4-fluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 107610739

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline?
The IUPAC name of 4-fluoro-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline (CID 43764924) is 4-fluoro-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline is Cc1cc(F)ccc1NCc1cn[nH]c1-c1cccs1.
What is the InChIKey of 4-fluoro-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline?
The InChIKey is SHYMZHABSGSOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c1-10-7-12(16)4-5-13(10)17-8-11-9-18-19-15(11)14-3-2-6-20-14/h2-7,9,17H,8H2,1H3,(H,18,19).
What are the key properties of 4-fluoro-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline?
4-fluoro-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline has a molecular weight of 287.36 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 43764924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).