3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol

C13H16ClN3O — CID 64811329

IUPAC3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
SMILESCNC(CO)(Cn1cc(Cl)cn1)c1ccccc1
InChIInChI=1S/C13H16ClN3O/c1-15-13(10-18,11-5-3-2-4-6-11)9-17-8-12(14)7-16-17/h2-8,15,18H,9-10H2,1H3
InChIKeyGYFLARRJMHLJPE-UHFFFAOYSA-N
MW265.74 g/mol
LogP1.64
Rot. Bonds5

About 3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol

3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol (PubChem CID 64811329) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
PubChem CID64811329
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
SMILESCNC(CO)(Cn1cc(Cl)cn1)c1ccccc1
InChIInChI=1S/C13H16ClN3O/c1-15-13(10-18,11-5-3-2-4-6-11)9-17-8-12(14)7-16-17/h2-8,15,18H,9-10H2,1H3
InChIKeyGYFLARRJMHLJPE-UHFFFAOYSA-N
XLogP1.64
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloropyrazol-1-yl)-2-phenyl-2-(propylamino)propan-1-ol
CID 64809031
3-indazol-1-yl-2-(methylamino)-2-phenylpropan-1-ol
CID 64808771
3-(4-chloro-3-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64809068
2-(methylamino)-3-(2-methylimidazol-1-yl)-2-phenylpropan-1-ol
CID 64811940
2-(methylamino)-4-(5-methylpyrazol-1-yl)-2-phenylbutan-1-ol
CID 116695380
2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol
CID 66371052
2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-1-ol
CID 64796768
3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
CID 64827049
4-ethylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol
CID 116695709
(2S)-3-(4-chloropyrazol-1-yl)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 129480738
3-(4-chloropyrazol-1-yl)-2,2-dimethylpropanehydrazide
CID 79631561
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol (CID 64811329) is 3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol is CNC(CO)(Cn1cc(Cl)cn1)c1ccccc1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol?
The InChIKey is GYFLARRJMHLJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-15-13(10-18,11-5-3-2-4-6-11)9-17-8-12(14)7-16-17/h2-8,15,18H,9-10H2,1H3.
What are the key properties of 3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol?
3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol has a molecular weight of 265.74 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-2-(methylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 64811329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).