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

C12H20ClN3O — CID 47135988

IUPAC4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
SMILESCc1nn(C)c(Cl)c1CNC1CCC(O)CC1
InChIInChI=1S/C12H20ClN3O/c1-8-11(12(13)16(2)15-8)7-14-9-3-5-10(17)6-4-9/h9-10,14,17H,3-7H2,1-2H3
InChIKeyPRUBVRPQAISYLR-UHFFFAOYSA-N
MW257.76 g/mol
LogP1.78
Rot. Bonds3

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

4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol (PubChem CID 47135988) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
PubChem CID47135988
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
SMILESCc1nn(C)c(Cl)c1CNC1CCC(O)CC1
InChIInChI=1S/C12H20ClN3O/c1-8-11(12(13)16(2)15-8)7-14-9-3-5-10(17)6-4-9/h9-10,14,17H,3-7H2,1-2H3
InChIKeyPRUBVRPQAISYLR-UHFFFAOYSA-N
XLogP1.78
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol (CID 47135988) is 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol is Cc1nn(C)c(Cl)c1CNC1CCC(O)CC1.
What is the InChIKey of 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The InChIKey is PRUBVRPQAISYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-8-11(12(13)16(2)15-8)7-14-9-3-5-10(17)6-4-9/h9-10,14,17H,3-7H2,1-2H3.
What are the key properties of 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol has a molecular weight of 257.76 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 47135988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).