3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylpentan-1-ol

C12H22ClN3O — CID 106175751

IUPAC3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCc1c(Cl)c(C)nn1C
InChIInChI=1S/C12H22ClN3O/c1-5-12(3,6-7-17)14-8-10-11(13)9(2)15-16(10)4/h14,17H,5-8H2,1-4H3
InChIKeyONLAYKOPZLORRP-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.02
Rot. Bonds6

About 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylpentan-1-ol

3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylpentan-1-ol (PubChem CID 106175751) has the molecular formula C12H22ClN3O and a molecular weight of 259.78 g/mol. Its IUPAC name is 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylpentan-1-ol
PubChem CID106175751
Molecular FormulaC12H22ClN3O
Molecular Weight259.78 g/mol
Exact Mass259.15
IUPAC Name3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCc1c(Cl)c(C)nn1C
InChIInChI=1S/C12H22ClN3O/c1-5-12(3,6-7-17)14-8-10-11(13)9(2)15-16(10)4/h14,17H,5-8H2,1-4H3
InChIKeyONLAYKOPZLORRP-UHFFFAOYSA-N
XLogP2.02
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylpentan-1-ol?
The IUPAC name of 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylpentan-1-ol (CID 106175751) is 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylpentan-1-ol is CCC(C)(CCO)NCc1c(Cl)c(C)nn1C.
What is the InChIKey of 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylpentan-1-ol?
The InChIKey is ONLAYKOPZLORRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN3O/c1-5-12(3,6-7-17)14-8-10-11(13)9(2)15-16(10)4/h14,17H,5-8H2,1-4H3.
What are the key properties of 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylpentan-1-ol?
3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylpentan-1-ol has a molecular weight of 259.78 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylpentan-1-ol is sourced from PubChem (CID 106175751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).