3-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]phenol

C12H15N3O — CID 105423248

IUPAC3-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]phenol
SMILESCC(N)c1c(-c2cccc(O)c2)cnn1C
InChIInChI=1S/C12H15N3O/c1-8(13)12-11(7-14-15(12)2)9-4-3-5-10(16)6-9/h3-8,16H,13H2,1-2H3
InChIKeyMVGPGZRKBHHOIV-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.81
Rot. Bonds2

About 3-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]phenol

3-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]phenol (PubChem CID 105423248) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]phenol.

Molecular Properties

Compound Name3-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]phenol
PubChem CID105423248
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]phenol
SMILESCC(N)c1c(-c2cccc(O)c2)cnn1C
InChIInChI=1S/C12H15N3O/c1-8(13)12-11(7-14-15(12)2)9-4-3-5-10(16)6-9/h3-8,16H,13H2,1-2H3
InChIKeyMVGPGZRKBHHOIV-UHFFFAOYSA-N
XLogP1.81
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-1-methylpyrazol-4-yl)phenol
CID 84676422
1-[4-(4-methoxyphenyl)-1-methylpyrazol-5-yl]ethanamine
CID 105423470
3-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol
CID 105423466
1-[1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethanamine
CID 105423890
4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117319243
3-[5-(1-aminoethyl)-2-chlorophenyl]phenol
CID 115046198
3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenol
CID 165460179
3-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol
CID 117210212
(1S)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 96637321
(1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 96637320
3-(1,3-dimethylpyrazol-4-yl)phenol
CID 130752122
3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol
CID 24905143

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]phenol?
The IUPAC name of 3-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]phenol (CID 105423248) is 3-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]phenol.
What is the SMILES notation for 3-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]phenol?
The canonical SMILES for 3-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]phenol is CC(N)c1c(-c2cccc(O)c2)cnn1C.
What is the InChIKey of 3-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]phenol?
The InChIKey is MVGPGZRKBHHOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(13)12-11(7-14-15(12)2)9-4-3-5-10(16)6-9/h3-8,16H,13H2,1-2H3.
What are the key properties of 3-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]phenol?
3-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]phenol has a molecular weight of 217.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]phenol is sourced from PubChem (CID 105423248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).