2-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcyclohexan-1-amine

C15H27N3O — CID 114666458

IUPAC2-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(c2c(OC)cnn2CC)C1
InChIInChI=1S/C15H27N3O/c1-4-6-11-7-8-13(16)12(9-11)15-14(19-3)10-17-18(15)5-2/h10-13H,4-9,16H2,1-3H3
InChIKeyWBODNJPOIDKYCA-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.92
Rot. Bonds5

About 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcyclohexan-1-amine

2-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcyclohexan-1-amine (PubChem CID 114666458) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcyclohexan-1-amine
PubChem CID114666458
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(c2c(OC)cnn2CC)C1
InChIInChI=1S/C15H27N3O/c1-4-6-11-7-8-13(16)12(9-11)15-14(19-3)10-17-18(15)5-2/h10-13H,4-9,16H2,1-3H3
InChIKeyWBODNJPOIDKYCA-UHFFFAOYSA-N
XLogP2.92
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylcyclohexan-1-amine
CID 114666430
2-(4-bromo-1-ethylpyrazol-5-yl)-4-methylcyclohexan-1-amine
CID 114666425
5-(3-chloro-2-methylcyclopentyl)-1-ethyl-4-methoxypyrazole
CID 114665648
N-ethyl-2-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-amine
CID 114662948
5-(3-chlorocyclohexyl)-1-ethyl-4-methoxypyrazole
CID 114665227
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol
CID 114636303
3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylcyclopentan-1-amine
CID 114664710
2-[(1-ethylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
CID 62128171
N-[[2-(4-methoxy-1-propylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine
CID 114667245
[(3-ethylcyclopentyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105233464
5-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methylpiperidine
CID 114662369
N-[(4-ethylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 114655232

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcyclohexan-1-amine (CID 114666458) is 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(c2c(OC)cnn2CC)C1.
What is the InChIKey of 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcyclohexan-1-amine?
The InChIKey is WBODNJPOIDKYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-6-11-7-8-13(16)12(9-11)15-14(19-3)10-17-18(15)5-2/h10-13H,4-9,16H2,1-3H3.
What are the key properties of 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcyclohexan-1-amine?
2-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcyclohexan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 114666458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).