1-[1-(cyclohexylmethyl)-3,5-dimethylpyrazol-4-yl]ethanamine

C14H25N3 — CID 62729112

IUPAC1-[1-(cyclohexylmethyl)-3,5-dimethylpyrazol-4-yl]ethanamine
SMILESCc1nn(CC2CCCCC2)c(C)c1C(C)N
InChIInChI=1S/C14H25N3/c1-10(15)14-11(2)16-17(12(14)3)9-13-7-5-4-6-8-13/h10,13H,4-9,15H2,1-3H3
InChIKeyIXHDKDBQEYXGEZ-UHFFFAOYSA-N
MW235.38 g/mol
LogP3.10
Rot. Bonds3

About 1-[1-(cyclohexylmethyl)-3,5-dimethylpyrazol-4-yl]ethanamine

1-[1-(cyclohexylmethyl)-3,5-dimethylpyrazol-4-yl]ethanamine (PubChem CID 62729112) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)-3,5-dimethylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)-3,5-dimethylpyrazol-4-yl]ethanamine
PubChem CID62729112
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name1-[1-(cyclohexylmethyl)-3,5-dimethylpyrazol-4-yl]ethanamine
SMILESCc1nn(CC2CCCCC2)c(C)c1C(C)N
InChIInChI=1S/C14H25N3/c1-10(15)14-11(2)16-17(12(14)3)9-13-7-5-4-6-8-13/h10,13H,4-9,15H2,1-3H3
InChIKeyIXHDKDBQEYXGEZ-UHFFFAOYSA-N
XLogP3.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexylmethyl)-3,5-dimethylpyrazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(cyclohexylmethyl)-3,5-dimethylpyrazol-4-yl]ethanamine (CID 62729112) is 1-[1-(cyclohexylmethyl)-3,5-dimethylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)-3,5-dimethylpyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(cyclohexylmethyl)-3,5-dimethylpyrazol-4-yl]ethanamine is Cc1nn(CC2CCCCC2)c(C)c1C(C)N.
What is the InChIKey of 1-[1-(cyclohexylmethyl)-3,5-dimethylpyrazol-4-yl]ethanamine?
The InChIKey is IXHDKDBQEYXGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10(15)14-11(2)16-17(12(14)3)9-13-7-5-4-6-8-13/h10,13H,4-9,15H2,1-3H3.
What are the key properties of 1-[1-(cyclohexylmethyl)-3,5-dimethylpyrazol-4-yl]ethanamine?
1-[1-(cyclohexylmethyl)-3,5-dimethylpyrazol-4-yl]ethanamine has a molecular weight of 235.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexylmethyl)-3,5-dimethylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 62729112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).