(5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanamine

C11H12FN3O — CID 82237909

IUPAC(5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanamine
SMILESCOc1ccc(F)cc1C(N)c1ccn[nH]1
InChIInChI=1S/C11H12FN3O/c1-16-10-3-2-7(12)6-8(10)11(13)9-4-5-14-15-9/h2-6,11H,13H2,1H3,(H,14,15)
InChIKeyYQHAXNLPCJCFKM-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.61
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanamine

(5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanamine (PubChem CID 82237909) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanamine
PubChem CID82237909
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name(5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanamine
SMILESCOc1ccc(F)cc1C(N)c1ccn[nH]1
InChIInChI=1S/C11H12FN3O/c1-16-10-3-2-7(12)6-8(10)11(13)9-4-5-14-15-9/h2-6,11H,13H2,1H3,(H,14,15)
InChIKeyYQHAXNLPCJCFKM-UHFFFAOYSA-N
XLogP1.61
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanol
CID 114988826
(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122398
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
(3,5-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122354
(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122336
(5-fluoro-2-methoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43122364
4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 116936753
(5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine
CID 105176629
(5-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43464539
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442
2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83154876
(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 28966440

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanamine?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanamine (CID 82237909) is (5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanamine?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanamine is COc1ccc(F)cc1C(N)c1ccn[nH]1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanamine?
The InChIKey is YQHAXNLPCJCFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-16-10-3-2-7(12)6-8(10)11(13)9-4-5-14-15-9/h2-6,11H,13H2,1H3,(H,14,15).
What are the key properties of (5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanamine?
(5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanamine has a molecular weight of 221.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 82237909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).