2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine

C11H19N3 — CID 62127990

IUPAC2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCn1cc(CC2CCCCC2N)cn1
InChIInChI=1S/C11H19N3/c1-14-8-9(7-13-14)6-10-4-2-3-5-11(10)12/h7-8,10-11H,2-6,12H2,1H3
InChIKeyQOENIPVKFGFDJA-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.48
Rot. Bonds2

About 2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine

2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 62127990) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID62127990
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCn1cc(CC2CCCCC2N)cn1
InChIInChI=1S/C11H19N3/c1-14-8-9(7-13-14)6-10-4-2-3-5-11(10)12/h7-8,10-11H,2-6,12H2,1H3
InChIKeyQOENIPVKFGFDJA-UHFFFAOYSA-N
XLogP1.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 62617070
4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62125698
2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81025118
N-[(2-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine
CID 103568948
2-[(1-methylpyrazol-4-yl)methyl]-N-propylcyclopentan-1-amine
CID 62127989
4-[(3-bromo-2-methylcyclopentyl)methyl]-1-methylpyrazole
CID 64910348
2-[2-(1-methylpyrazol-4-yl)ethoxy]cyclopentan-1-amine
CID 103004175
2-[cyclopentyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]ethanethioamide
CID 103002660
1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 121407190
2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 64927615
2-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 106365328
1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115822001

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine (CID 62127990) is 2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine is Cn1cc(CC2CCCCC2N)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is QOENIPVKFGFDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-14-8-9(7-13-14)6-10-4-2-3-5-11(10)12/h7-8,10-11H,2-6,12H2,1H3.
What are the key properties of 2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 62127990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).