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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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).