4-[5-[1-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol

C12H15N3O — CID 136758050

IUPAC4-[5-[1-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol
SMILESCNC(C)c1cc(-c2ccc(O)cc2)n[nH]1
InChIInChI=1S/C12H15N3O/c1-8(13-2)11-7-12(15-14-11)9-3-5-10(16)6-4-9/h3-8,13,16H,1-2H3,(H,14,15)
InChIKeyWTLQQCHBQDWTRN-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.06
Rot. Bonds3

About 4-[5-[1-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol

4-[5-[1-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol (PubChem CID 136758050) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[5-[1-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-[1-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol
PubChem CID136758050
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-[5-[1-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol
SMILESCNC(C)c1cc(-c2ccc(O)cc2)n[nH]1
InChIInChI=1S/C12H15N3O/c1-8(13-2)11-7-12(15-14-11)9-3-5-10(16)6-4-9/h3-8,13,16H,1-2H3,(H,14,15)
InChIKeyWTLQQCHBQDWTRN-UHFFFAOYSA-N
XLogP2.06
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-[2-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol
CID 136758046
2-(3-phenyl-1H-pyrazol-5-yl)propanoic acid
CID 105469690
3-(5-propan-2-yl-1H-pyrazol-3-yl)phenol
CID 118099844
3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]butan-2-ol
CID 14568874
3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol
CID 14568875
5-fluoro-N-[(1S)-1-[3-(4-propan-2-ylphenyl)-1H-pyrazol-5-yl]ethyl]pyrimidin-2-amine
CID 141420656
5-chloro-3-(4-hydroxyphenyl)-1H-pyridazin-6-one
CID 136965927
4-[2-fluoro-5-[1-(methylamino)ethyl]phenyl]phenol
CID 82540521
5-(1-acetamidoethyl)-1H-pyrazole-3-carboxylic acid
CID 167718756
4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol
CID 781234
2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid
CID 105494091
2-[1-(methylamino)ethyl]-1-benzofuran-5-ol
CID 117195301

Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol?
The IUPAC name of 4-[5-[1-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol (CID 136758050) is 4-[5-[1-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 4-[5-[1-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 4-[5-[1-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol is CNC(C)c1cc(-c2ccc(O)cc2)n[nH]1.
What is the InChIKey of 4-[5-[1-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol?
The InChIKey is WTLQQCHBQDWTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(13-2)11-7-12(15-14-11)9-3-5-10(16)6-4-9/h3-8,13,16H,1-2H3,(H,14,15).
What are the key properties of 4-[5-[1-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol?
4-[5-[1-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol has a molecular weight of 217.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 136758050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).