[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol

C15H26ClN3O — CID 79641045

IUPAC[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(n2nc(C)c(Cl)c2C)C1
InChIInChI=1S/C15H26ClN3O/c1-4-8-17-15(10-20)7-5-6-13(9-15)19-12(3)14(16)11(2)18-19/h13,17,20H,4-10H2,1-3H3
InChIKeyVCZJZSXDIMAPOK-UHFFFAOYSA-N
MW299.85 g/mol
LogP3.00
Rot. Bonds5

About [3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol

[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol (PubChem CID 79641045) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is [3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol
PubChem CID79641045
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(n2nc(C)c(Cl)c2C)C1
InChIInChI=1S/C15H26ClN3O/c1-4-8-17-15(10-20)7-5-6-13(9-15)19-12(3)14(16)11(2)18-19/h13,17,20H,4-10H2,1-3H3
InChIKeyVCZJZSXDIMAPOK-UHFFFAOYSA-N
XLogP3.00
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 53.00
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)-1-(propylamino)cyclohexyl]methanol?
The IUPAC name of [3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol (CID 79641045) is [3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol is CCCNC1(CO)CCCC(n2nc(C)c(Cl)c2C)C1.
What is the InChIKey of [3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol?
The InChIKey is VCZJZSXDIMAPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-4-8-17-15(10-20)7-5-6-13(9-15)19-12(3)14(16)11(2)18-19/h13,17,20H,4-10H2,1-3H3.
What are the key properties of [3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol?
[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexyl]methanol has a molecular weight of 299.85 g/mol, XLogP of 3.00, 5 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)-1-(propylamino)cyclohexyl]methanol is sourced from PubChem (CID 79641045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).