5-fluoro-2-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline

C11H12FN3O — CID 115881304

IUPAC5-fluoro-2-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline
SMILESCOc1ccc(F)cc1NCc1ccn[nH]1
InChIInChI=1S/C11H12FN3O/c1-16-11-3-2-8(12)6-10(11)13-7-9-4-5-14-15-9/h2-6,13H,7H2,1H3,(H,14,15)
InChIKeyYHWIGEBIVWFUMI-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.17
Rot. Bonds4

About 5-fluoro-2-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline

5-fluoro-2-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline (PubChem CID 115881304) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline
PubChem CID115881304
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name5-fluoro-2-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline
SMILESCOc1ccc(F)cc1NCc1ccn[nH]1
InChIInChI=1S/C11H12FN3O/c1-16-11-3-2-8(12)6-10(11)13-7-9-4-5-14-15-9/h2-6,13H,7H2,1H3,(H,14,15)
InChIKeyYHWIGEBIVWFUMI-UHFFFAOYSA-N
XLogP2.17
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662273
5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 82539421
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
3,5-dimethoxy-N-(1H-pyrazol-5-ylmethyl)aniline;hydrochloride
CID 171316039
5-methoxy-N-(1H-pyrazol-5-ylmethyl)isoquinolin-1-amine
CID 106537946
2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 60976765
3-fluoro-5-methyl-N-(1H-pyrazol-5-ylmethyl)aniline
CID 79054690
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline
CID 82539005
1-(5-fluoro-2-methoxyanilino)-2-methylpropan-2-ol
CID 115136729
4-methoxy-2-(1H-pyrazol-5-ylmethylamino)benzonitrile
CID 81303550
N-ethyl-N'-(5-fluoro-2-methoxyphenyl)ethane-1,2-diamine
CID 115205550
2-fluoro-N-(1H-pyrazol-5-ylmethyl)pyridin-3-amine
CID 164653541

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline?
The IUPAC name of 5-fluoro-2-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline (CID 115881304) is 5-fluoro-2-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline.
What is the SMILES notation for 5-fluoro-2-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline?
The canonical SMILES for 5-fluoro-2-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline is COc1ccc(F)cc1NCc1ccn[nH]1.
What is the InChIKey of 5-fluoro-2-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline?
The InChIKey is YHWIGEBIVWFUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-16-11-3-2-8(12)6-10(11)13-7-9-4-5-14-15-9/h2-6,13H,7H2,1H3,(H,14,15).
What are the key properties of 5-fluoro-2-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline?
5-fluoro-2-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline has a molecular weight of 221.24 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline is sourced from PubChem (CID 115881304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).