N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,4-dimethylcyclohexan-1-amine

C14H25N3O — CID 114255453

IUPACN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,4-dimethylcyclohexan-1-amine
SMILESCOc1cc(CNC2CCC(C)C(C)C2)nn1C
InChIInChI=1S/C14H25N3O/c1-10-5-6-12(7-11(10)2)15-9-13-8-14(18-4)17(3)16-13/h8,10-12,15H,5-7,9H2,1-4H3
InChIKeyJSBMDSGDVXIPQW-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.34
Rot. Bonds4

About N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,4-dimethylcyclohexan-1-amine

N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,4-dimethylcyclohexan-1-amine (PubChem CID 114255453) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,4-dimethylcyclohexan-1-amine
PubChem CID114255453
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,4-dimethylcyclohexan-1-amine
SMILESCOc1cc(CNC2CCC(C)C(C)C2)nn1C
InChIInChI=1S/C14H25N3O/c1-10-5-6-12(7-11(10)2)15-9-13-8-14(18-4)17(3)16-13/h8,10-12,15H,5-7,9H2,1-4H3
InChIKeyJSBMDSGDVXIPQW-UHFFFAOYSA-N
XLogP2.34
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,4-dimethylcyclohexan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

3,4-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclohexan-1-amine
CID 66117502
3-[(cyclopropylamino)methyl]-1-methylpyrazol-5-amine
CID 117215881
4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,2-diol
CID 64738706
3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]cyclohexan-1-amine
CID 66399217
3-ethyl-5-methoxy-1-methylpyrazole
CID 165138939
3,4-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
CID 106833983
N-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 103399147
3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64731806
3,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclohexan-1-amine
CID 64739714
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 103172520
N-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 65478000
6-[[(3,4-dimethylcyclohexyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 64744038

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,4-dimethylcyclohexan-1-amine (CID 114255453) is N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,4-dimethylcyclohexan-1-amine is COc1cc(CNC2CCC(C)C(C)C2)nn1C.
What is the InChIKey of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,4-dimethylcyclohexan-1-amine?
The InChIKey is JSBMDSGDVXIPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10-5-6-12(7-11(10)2)15-9-13-8-14(18-4)17(3)16-13/h8,10-12,15H,5-7,9H2,1-4H3.
What are the key properties of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,4-dimethylcyclohexan-1-amine?
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,4-dimethylcyclohexan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 114255453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).