3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(methylamino)propan-1-ol

C9H16ClN3O — CID 64811494

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(methylamino)propan-1-ol
SMILESCNC(CO)Cn1nc(C)c(Cl)c1C
InChIInChI=1S/C9H16ClN3O/c1-6-9(10)7(2)13(12-6)4-8(5-14)11-3/h8,11,14H,4-5H2,1-3H3
InChIKeyZGHAHINEKIGOCM-UHFFFAOYSA-N
MW217.70 g/mol
LogP0.73
Rot. Bonds4

About 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(methylamino)propan-1-ol

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(methylamino)propan-1-ol (PubChem CID 64811494) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(methylamino)propan-1-ol
PubChem CID64811494
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(methylamino)propan-1-ol
SMILESCNC(CO)Cn1nc(C)c(Cl)c1C
InChIInChI=1S/C9H16ClN3O/c1-6-9(10)7(2)13(12-6)4-8(5-14)11-3/h8,11,14H,4-5H2,1-3H3
InChIKeyZGHAHINEKIGOCM-UHFFFAOYSA-N
XLogP0.73
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(methylamino)propan-1-ol?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(methylamino)propan-1-ol (CID 64811494) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(methylamino)propan-1-ol is CNC(CO)Cn1nc(C)c(Cl)c1C.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(methylamino)propan-1-ol?
The InChIKey is ZGHAHINEKIGOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O/c1-6-9(10)7(2)13(12-6)4-8(5-14)11-3/h8,11,14H,4-5H2,1-3H3.
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(methylamino)propan-1-ol?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(methylamino)propan-1-ol has a molecular weight of 217.70 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64811494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).