[2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol

C14H25N3O — CID 109482222

IUPAC[2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol
SMILESCc1nn(C)cc1CNC1CCCCCC1CO
InChIInChI=1S/C14H25N3O/c1-11-13(9-17(2)16-11)8-15-14-7-5-3-4-6-12(14)10-18/h9,12,14-15,18H,3-8,10H2,1-2H3
InChIKeyXJHZZIMXBUATJW-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.76
Rot. Bonds4

About [2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol

[2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol (PubChem CID 109482222) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol.

Molecular Properties

Compound Name[2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol
PubChem CID109482222
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol
SMILESCc1nn(C)cc1CNC1CCCCCC1CO
InChIInChI=1S/C14H25N3O/c1-11-13(9-17(2)16-11)8-15-14-7-5-3-4-6-12(14)10-18/h9,12,14-15,18H,3-8,10H2,1-2H3
InChIKeyXJHZZIMXBUATJW-UHFFFAOYSA-N
XLogP1.76
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol 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

[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 103893993
[1-[(1R,2S)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol
CID 128990969
N-cyclopentyloxy-1-(1,3-dimethylpyrazol-4-yl)methanamine
CID 83229847
[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol
CID 113442476
(1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 83088566
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107416867
(2S,3S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 128996194
[(1S,2R)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol
CID 99609979
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
CID 112668528
N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 112668644
2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 112668413
tert-butyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpiperidine-1-carboxylate
CID 104954264

Frequently Asked Questions

What is the IUPAC name of [2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol?
The IUPAC name of [2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol (CID 109482222) is [2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol.
What is the SMILES notation for [2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol?
The canonical SMILES for [2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol is Cc1nn(C)cc1CNC1CCCCCC1CO.
What is the InChIKey of [2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol?
The InChIKey is XJHZZIMXBUATJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11-13(9-17(2)16-11)8-15-14-7-5-3-4-6-12(14)10-18/h9,12,14-15,18H,3-8,10H2,1-2H3.
What are the key properties of [2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol?
[2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol has a molecular weight of 251.37 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol is sourced from PubChem (CID 109482222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).