(2-ethyl-5-methylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine

C14H18FN3O — CID 105176567

IUPAC(2-ethyl-5-methylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine
SMILESCCn1nc(C)cc1C(N)c1cc(F)ccc1OC
InChIInChI=1S/C14H18FN3O/c1-4-18-12(7-9(2)17-18)14(16)11-8-10(15)5-6-13(11)19-3/h5-8,14H,4,16H2,1-3H3
InChIKeyNDMSJQZBDHPYHC-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.41
Rot. Bonds4

About (2-ethyl-5-methylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine

(2-ethyl-5-methylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine (PubChem CID 105176567) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine
PubChem CID105176567
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name(2-ethyl-5-methylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine
SMILESCCn1nc(C)cc1C(N)c1cc(F)ccc1OC
InChIInChI=1S/C14H18FN3O/c1-4-18-12(7-9(2)17-18)14(16)11-8-10(15)5-6-13(11)19-3/h5-8,14H,4,16H2,1-3H3
InChIKeyNDMSJQZBDHPYHC-UHFFFAOYSA-N
XLogP2.41
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methanamine
CID 105145003
(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176507
(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176557
[(2,5-dimethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]hydrazine
CID 105305109
N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 105176495
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105188301
1-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 105144094
1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine
CID 165347841
(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122398
(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 171224945
4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one
CID 116940506
(5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanamine
CID 82237909

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine?
The IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine (CID 105176567) is (2-ethyl-5-methylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine.
What is the SMILES notation for (2-ethyl-5-methylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine?
The canonical SMILES for (2-ethyl-5-methylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine is CCn1nc(C)cc1C(N)c1cc(F)ccc1OC.
What is the InChIKey of (2-ethyl-5-methylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine?
The InChIKey is NDMSJQZBDHPYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-4-18-12(7-9(2)17-18)14(16)11-8-10(15)5-6-13(11)19-3/h5-8,14H,4,16H2,1-3H3.
What are the key properties of (2-ethyl-5-methylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine?
(2-ethyl-5-methylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine has a molecular weight of 263.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine is sourced from PubChem (CID 105176567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).