N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine

C14H25N3 — CID 112668528

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
SMILESCc1nn(C)cc1CNC1CCCC(C)CC1
InChIInChI=1S/C14H25N3/c1-11-5-4-6-14(8-7-11)15-9-13-10-17(3)16-12(13)2/h10-11,14-15H,4-9H2,1-3H3
InChIKeyOKLSPOULPOKZPJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.79
Rot. Bonds3

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine (PubChem CID 112668528) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
PubChem CID112668528
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
SMILESCc1nn(C)cc1CNC1CCCC(C)CC1
InChIInChI=1S/C14H25N3/c1-11-5-4-6-14(8-7-11)15-9-13-10-17(3)16-12(13)2/h10-11,14-15H,4-9H2,1-3H3
InChIKeyOKLSPOULPOKZPJ-UHFFFAOYSA-N
XLogP2.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylcyclobutan-1-amine
CID 115768120
N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 112668644
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
CID 102795070
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 112705229
ethyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexane-1-carboxylate
CID 83089059
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 43754680
4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cycloheptan-1-amine
CID 65079880
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107416867
tert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
CID 103851562
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine
CID 115989316
N-cyclopentyloxy-1-(1,3-dimethylpyrazol-4-yl)methanamine
CID 83229847
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine (CID 112668528) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine is Cc1nn(C)cc1CNC1CCCC(C)CC1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine?
The InChIKey is OKLSPOULPOKZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11-5-4-6-14(8-7-11)15-9-13-10-17(3)16-12(13)2/h10-11,14-15H,4-9H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine is sourced from PubChem (CID 112668528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).