(1S)-1-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine

C12H15N3O — CID 82393432

IUPAC(1S)-1-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
SMILESCOc1cccc(-c2cc([C@H](C)N)[nH]n2)c1
InChIInChI=1S/C12H15N3O/c1-8(13)11-7-12(15-14-11)9-4-3-5-10(6-9)16-2/h3-8H,13H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyMODKXDFHGBXDSX-QMMMGPOBSA-N
MW217.27 g/mol
LogP2.11
Rot. Bonds3

About (1S)-1-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine

(1S)-1-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine (PubChem CID 82393432) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (1S)-1-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
PubChem CID82393432
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(1S)-1-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
SMILESCOc1cccc(-c2cc([C@H](C)N)[nH]n2)c1
InChIInChI=1S/C12H15N3O/c1-8(13)11-7-12(15-14-11)9-4-3-5-10(6-9)16-2/h3-8H,13H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyMODKXDFHGBXDSX-QMMMGPOBSA-N
XLogP2.11
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]ethanamine
CID 82452985
(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine
CID 93461021
5-(furan-2-yl)-3-(3-methoxyphenyl)-1H-pyrazole
CID 73052635
5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-1H-pyrazole
CID 142088621
5-(bromomethyl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one
CID 82445918
N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509722
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol
CID 14568875
5-(3-methoxyphenyl)-1H-imidazol-4-amine
CID 82468693
3-(5-propan-2-yl-1H-pyrazol-3-yl)phenol
CID 118099844
4-(3-methoxyphenyl)-6-methylpyrimidine
CID 58973518

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine?
The IUPAC name of (1S)-1-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine (CID 82393432) is (1S)-1-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine is COc1cccc(-c2cc([C@H](C)N)[nH]n2)c1.
What is the InChIKey of (1S)-1-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine?
The InChIKey is MODKXDFHGBXDSX-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(13)11-7-12(15-14-11)9-4-3-5-10(6-9)16-2/h3-8H,13H2,1-2H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (1S)-1-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine?
(1S)-1-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine has a molecular weight of 217.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine is sourced from PubChem (CID 82393432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).