3-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-ol

C15H21N3O — CID 106758050

IUPAC3-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-ol
SMILESCC(Nc1cccc(CCCO)c1)c1ccnn1C
InChIInChI=1S/C15H21N3O/c1-12(15-8-9-16-18(15)2)17-14-7-3-5-13(11-14)6-4-10-19/h3,5,7-9,11-12,17,19H,4,6,10H2,1-2H3
InChIKeyNHHNXOXWYGGXIX-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.52
Rot. Bonds6

About 3-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-ol

3-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-ol (PubChem CID 106758050) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-ol
PubChem CID106758050
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-ol
SMILESCC(Nc1cccc(CCCO)c1)c1ccnn1C
InChIInChI=1S/C15H21N3O/c1-12(15-8-9-16-18(15)2)17-14-7-3-5-13(11-14)6-4-10-19/h3,5,7-9,11-12,17,19H,4,6,10H2,1-2H3
InChIKeyNHHNXOXWYGGXIX-UHFFFAOYSA-N
XLogP2.52
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 106757227
3-ethynyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756777
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 106757576
4-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenoxy]butanenitrile
CID 106757585
N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]cyclopropanecarboxamide
CID 106756909
3-[2-(dimethylamino)ethoxy]-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757328
3-[3-[2-(2-methylpyrazol-3-yl)propanoylamino]phenyl]propanoic acid
CID 122111322
1-benzyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-amine
CID 106757614
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 106757445
4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756900
4-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756876
2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]prop-2-en-1-amine
CID 106758152

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-ol?
The IUPAC name of 3-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-ol (CID 106758050) is 3-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-ol?
The canonical SMILES for 3-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-ol is CC(Nc1cccc(CCCO)c1)c1ccnn1C.
What is the InChIKey of 3-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-ol?
The InChIKey is NHHNXOXWYGGXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(15-8-9-16-18(15)2)17-14-7-3-5-13(11-14)6-4-10-19/h3,5,7-9,11-12,17,19H,4,6,10H2,1-2H3.
What are the key properties of 3-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-ol?
3-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-ol is sourced from PubChem (CID 106758050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).