2-[(1-ethylpyrazol-4-yl)methyl]-N-methylcycloheptan-1-amine

C14H25N3 — CID 62126946

IUPAC2-[(1-ethylpyrazol-4-yl)methyl]-N-methylcycloheptan-1-amine
SMILESCCn1cc(CC2CCCCCC2NC)cn1
InChIInChI=1S/C14H25N3/c1-3-17-11-12(10-16-17)9-13-7-5-4-6-8-14(13)15-2/h10-11,13-15H,3-9H2,1-2H3
InChIKeyMIRDKTZHYCYSOY-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.61
Rot. Bonds4

About 2-[(1-ethylpyrazol-4-yl)methyl]-N-methylcycloheptan-1-amine

2-[(1-ethylpyrazol-4-yl)methyl]-N-methylcycloheptan-1-amine (PubChem CID 62126946) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methyl]-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methyl]-N-methylcycloheptan-1-amine
PubChem CID62126946
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-[(1-ethylpyrazol-4-yl)methyl]-N-methylcycloheptan-1-amine
SMILESCCn1cc(CC2CCCCCC2NC)cn1
InChIInChI=1S/C14H25N3/c1-3-17-11-12(10-16-17)9-13-7-5-4-6-8-14(13)15-2/h10-11,13-15H,3-9H2,1-2H3
InChIKeyMIRDKTZHYCYSOY-UHFFFAOYSA-N
XLogP2.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylpyrazol-4-yl)methyl]cyclopentan-1-ol
CID 62127889
2-(chloromethyl)-N-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 106365342
2-(1-ethylpyrazol-4-yl)-N-methylcyclopentan-1-amine
CID 62603685
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 80603195
[2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol
CID 115655039
3-[(1-ethylpyrazol-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 64909188
N-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexan-1-amine
CID 55041287
2-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine
CID 83172756
2-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 62232960
1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114499054
1-ethyl-4-(oxiran-2-ylmethyl)pyrazole
CID 115410523

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-N-methylcycloheptan-1-amine?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-N-methylcycloheptan-1-amine (CID 62126946) is 2-[(1-ethylpyrazol-4-yl)methyl]-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methyl]-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methyl]-N-methylcycloheptan-1-amine is CCn1cc(CC2CCCCCC2NC)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methyl]-N-methylcycloheptan-1-amine?
The InChIKey is MIRDKTZHYCYSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-17-11-12(10-16-17)9-13-7-5-4-6-8-14(13)15-2/h10-11,13-15H,3-9H2,1-2H3.
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methyl]-N-methylcycloheptan-1-amine?
2-[(1-ethylpyrazol-4-yl)methyl]-N-methylcycloheptan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methyl]-N-methylcycloheptan-1-amine is sourced from PubChem (CID 62126946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).