3-(4-chloro-3-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol

C16H22ClN3O — CID 64809068

IUPAC3-(4-chloro-3-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol
SMILESCc1nn(CC(CO)(NC(C)C)c2ccccc2)cc1Cl
InChIInChI=1S/C16H22ClN3O/c1-12(2)18-16(11-21,14-7-5-4-6-8-14)10-20-9-15(17)13(3)19-20/h4-9,12,18,21H,10-11H2,1-3H3
InChIKeyFEUXXJDNSNLRGH-UHFFFAOYSA-N
MW307.83 g/mol
LogP2.73
Rot. Bonds6

About 3-(4-chloro-3-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol

3-(4-chloro-3-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64809068) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is 3-(4-chloro-3-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-3-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID64809068
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC Name3-(4-chloro-3-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol
SMILESCc1nn(CC(CO)(NC(C)C)c2ccccc2)cc1Cl
InChIInChI=1S/C16H22ClN3O/c1-12(2)18-16(11-21,14-7-5-4-6-8-14)10-20-9-15(17)13(3)19-20/h4-9,12,18,21H,10-11H2,1-3H3
InChIKeyFEUXXJDNSNLRGH-UHFFFAOYSA-N
XLogP2.73
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2-chlorophenyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]ethanol
CID 52394473
(2S)-2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-phenylethanol
CID 75428123
1-[(4-Chloro-1-methylpyrazol-5-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-4-ol
CID 121580550
1-[[1-(3-Tert-butylphenyl)cyclohexyl]amino]-3-[(4-chloro-1-methylpyrazol-3-yl)methylamino]-4-(3,5-difluorophenyl)butan-2-ol
CID 59599373
(4R,5R)-4-[5-[(4-chloro-1-methylpyrazol-3-yl)methylamino]-2-fluorophenyl]-5-fluoro-4,5-dimethyl-6H-1,3-oxazin-2-amine
CID 71008820
4-[5-[(4-chloro-1-methylpyrazol-3-yl)methylamino]-2-fluorophenyl]-5-fluoro-4,5-dimethyl-6H-1,3-oxazin-2-amine
CID 77980048
N-[[4-chloro-1-(difluoromethyl)pyrazol-3-yl]methyl]-4-fluoro-3-[(3R)-3-methylmorpholin-3-yl]aniline
CID 142717553
3-(1-Methylpyrazol-3-yl)-3-[4-[4-(trifluoromethyl)phenyl]butan-2-ylamino]propan-1-ol
CID 170108767
2-(Methylamino)-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 64809884
2-Amino-2-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 64810513
2-(Methylamino)-2-phenyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 64811291
2-(4-Chloro-3-fluorophenyl)-2-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]ethanol
CID 75515240

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol (CID 64809068) is 3-(4-chloro-3-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-(4-chloro-3-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-(4-chloro-3-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol is Cc1nn(CC(CO)(NC(C)C)c2ccccc2)cc1Cl.
What is the InChIKey of 3-(4-chloro-3-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is FEUXXJDNSNLRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-12(2)18-16(11-21,14-7-5-4-6-8-14)10-20-9-15(17)13(3)19-20/h4-9,12,18,21H,10-11H2,1-3H3.
What are the key properties of 3-(4-chloro-3-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
3-(4-chloro-3-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 307.83 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64809068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).