2-(1-methylpyrazol-4-yl)-1-(1-naphthalen-2-ylethylamino)propan-2-ol

C19H23N3O — CID 111755740

IUPAC2-(1-methylpyrazol-4-yl)-1-(1-naphthalen-2-ylethylamino)propan-2-ol
SMILESCC(NCC(C)(O)c1cnn(C)c1)c1ccc2ccccc2c1
InChIInChI=1S/C19H23N3O/c1-14(16-9-8-15-6-4-5-7-17(15)10-16)20-13-19(2,23)18-11-21-22(3)12-18/h4-12,14,20,23H,13H2,1-3H3
InChIKeyYHHSXNYEHVOSSM-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.13
Rot. Bonds5

About 2-(1-methylpyrazol-4-yl)-1-(1-naphthalen-2-ylethylamino)propan-2-ol

2-(1-methylpyrazol-4-yl)-1-(1-naphthalen-2-ylethylamino)propan-2-ol (PubChem CID 111755740) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1-(1-naphthalen-2-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1-(1-naphthalen-2-ylethylamino)propan-2-ol
PubChem CID111755740
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-(1-methylpyrazol-4-yl)-1-(1-naphthalen-2-ylethylamino)propan-2-ol
SMILESCC(NCC(C)(O)c1cnn(C)c1)c1ccc2ccccc2c1
InChIInChI=1S/C19H23N3O/c1-14(16-9-8-15-6-4-5-7-17(15)10-16)20-13-19(2,23)18-11-21-22(3)12-18/h4-12,14,20,23H,13H2,1-3H3
InChIKeyYHHSXNYEHVOSSM-UHFFFAOYSA-N
XLogP3.13
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(6-chloro-3-pyridinyl)ethylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 71907392
2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 66039398
(2R)-1-[[(1S)-1-(2-fluorophenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 99852141
1-(methylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66036984
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylsulfanylacetamide
CID 111458525
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(4-methoxyphenyl)butanamide
CID 111825776
(2R)-1-[[(R)-(4-fluorophenyl)-(furan-2-yl)methyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 99854332
2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63868258
(3S)-N-(2-ethylphenyl)-3-[[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]butanamide
CID 97232685
1-naphthalen-2-yl-N-(2-piperidin-1-ylethyl)ethanamine
CID 60694800
2,3,3-trimethyl-N-(1-naphthalen-2-ylethyl)butan-1-amine
CID 83142738
N-[(1-methylpyrazol-3-yl)methyl]-1-naphthalen-2-ylethanamine
CID 78921020

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1-(1-naphthalen-2-ylethylamino)propan-2-ol?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1-(1-naphthalen-2-ylethylamino)propan-2-ol (CID 111755740) is 2-(1-methylpyrazol-4-yl)-1-(1-naphthalen-2-ylethylamino)propan-2-ol.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1-(1-naphthalen-2-ylethylamino)propan-2-ol?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1-(1-naphthalen-2-ylethylamino)propan-2-ol is CC(NCC(C)(O)c1cnn(C)c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1-(1-naphthalen-2-ylethylamino)propan-2-ol?
The InChIKey is YHHSXNYEHVOSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14(16-9-8-15-6-4-5-7-17(15)10-16)20-13-19(2,23)18-11-21-22(3)12-18/h4-12,14,20,23H,13H2,1-3H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1-(1-naphthalen-2-ylethylamino)propan-2-ol?
2-(1-methylpyrazol-4-yl)-1-(1-naphthalen-2-ylethylamino)propan-2-ol has a molecular weight of 309.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1-(1-naphthalen-2-ylethylamino)propan-2-ol is sourced from PubChem (CID 111755740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).