5-(2-cyclohexylethyl)-4-methyl-1H-pyrazol-3-amine

C12H21N3 — CID 43157743

IUPAC5-(2-cyclohexylethyl)-4-methyl-1H-pyrazol-3-amine
SMILESCc1c(N)n[nH]c1CCC1CCCCC1
InChIInChI=1S/C12H21N3/c1-9-11(14-15-12(9)13)8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H3,13,14,15)
InChIKeyIJMCHEPOILGUJE-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.81
Rot. Bonds3

About 5-(2-cyclohexylethyl)-4-methyl-1H-pyrazol-3-amine

5-(2-cyclohexylethyl)-4-methyl-1H-pyrazol-3-amine (PubChem CID 43157743) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-(2-cyclohexylethyl)-4-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-cyclohexylethyl)-4-methyl-1H-pyrazol-3-amine
PubChem CID43157743
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-(2-cyclohexylethyl)-4-methyl-1H-pyrazol-3-amine
SMILESCc1c(N)n[nH]c1CCC1CCCCC1
InChIInChI=1S/C12H21N3/c1-9-11(14-15-12(9)13)8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H3,13,14,15)
InChIKeyIJMCHEPOILGUJE-UHFFFAOYSA-N
XLogP2.81
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylethyl)-4-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-cyclohexylethyl)-4-methyl-1H-pyrazol-3-amine (CID 43157743) is 5-(2-cyclohexylethyl)-4-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-cyclohexylethyl)-4-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-cyclohexylethyl)-4-methyl-1H-pyrazol-3-amine is Cc1c(N)n[nH]c1CCC1CCCCC1.
What is the InChIKey of 5-(2-cyclohexylethyl)-4-methyl-1H-pyrazol-3-amine?
The InChIKey is IJMCHEPOILGUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9-11(14-15-12(9)13)8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H3,13,14,15).
What are the key properties of 5-(2-cyclohexylethyl)-4-methyl-1H-pyrazol-3-amine?
5-(2-cyclohexylethyl)-4-methyl-1H-pyrazol-3-amine has a molecular weight of 207.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethyl)-4-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 43157743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).