2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1-phenylethanol

C15H21N3O — CID 111462314

IUPAC2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1-phenylethanol
SMILESCC(C)c1cc(N(C)CC(O)c2ccccc2)n[nH]1
InChIInChI=1S/C15H21N3O/c1-11(2)13-9-15(17-16-13)18(3)10-14(19)12-7-5-4-6-8-12/h4-9,11,14,19H,10H2,1-3H3,(H,16,17)
InChIKeyABHCYLRBHWKTAU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.70
Rot. Bonds5

About 2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1-phenylethanol

2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1-phenylethanol (PubChem CID 111462314) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1-phenylethanol
PubChem CID111462314
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1-phenylethanol
SMILESCC(C)c1cc(N(C)CC(O)c2ccccc2)n[nH]1
InChIInChI=1S/C15H21N3O/c1-11(2)13-9-15(17-16-13)18(3)10-14(19)12-7-5-4-6-8-12/h4-9,11,14,19H,10H2,1-3H3,(H,16,17)
InChIKeyABHCYLRBHWKTAU-UHFFFAOYSA-N
XLogP2.70
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1-phenylethanol?
The IUPAC name of 2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1-phenylethanol (CID 111462314) is 2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1-phenylethanol?
The canonical SMILES for 2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1-phenylethanol is CC(C)c1cc(N(C)CC(O)c2ccccc2)n[nH]1.
What is the InChIKey of 2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1-phenylethanol?
The InChIKey is ABHCYLRBHWKTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)13-9-15(17-16-13)18(3)10-14(19)12-7-5-4-6-8-12/h4-9,11,14,19H,10H2,1-3H3,(H,16,17).
What are the key properties of 2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1-phenylethanol?
2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1-phenylethanol has a molecular weight of 259.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]-1-phenylethanol is sourced from PubChem (CID 111462314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).