1,3,5-trimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-4-carboxamide

C16H27N3O2 — CID 51081065

IUPAC1,3,5-trimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCCOC1CCCCC1C
InChIInChI=1S/C16H27N3O2/c1-11-7-5-6-8-14(11)21-10-9-17-16(20)15-12(2)18-19(4)13(15)3/h11,14H,5-10H2,1-4H3,(H,17,20)
InChIKeyHWVKKCOAAUSZPF-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.36
Rot. Bonds5

About 1,3,5-trimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-4-carboxamide

1,3,5-trimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-4-carboxamide (PubChem CID 51081065) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-4-carboxamide
PubChem CID51081065
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1,3,5-trimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCCOC1CCCCC1C
InChIInChI=1S/C16H27N3O2/c1-11-7-5-6-8-14(11)21-10-9-17-16(20)15-12(2)18-19(4)13(15)3/h11,14H,5-10H2,1-4H3,(H,17,20)
InChIKeyHWVKKCOAAUSZPF-UHFFFAOYSA-N
XLogP2.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-4-carboxamide (CID 51081065) is 1,3,5-trimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NCCOC1CCCCC1C.
What is the InChIKey of 1,3,5-trimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-4-carboxamide?
The InChIKey is HWVKKCOAAUSZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11-7-5-6-8-14(11)21-10-9-17-16(20)15-12(2)18-19(4)13(15)3/h11,14H,5-10H2,1-4H3,(H,17,20).
What are the key properties of 1,3,5-trimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-4-carboxamide?
1,3,5-trimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-4-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 51081065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).