5-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-1-phenylpyrazole-3-carboxamide

C20H27N3O2 — CID 55779851

IUPAC5-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCOC2CCCCC2C)nn1-c1ccccc1
InChIInChI=1S/C20H27N3O2/c1-15-8-6-7-11-19(15)25-13-12-21-20(24)18-14-16(2)23(22-18)17-9-4-3-5-10-17/h3-5,9-10,14-15,19H,6-8,11-13H2,1-2H3,(H,21,24)
InChIKeySRTMBRNTZZGLHF-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.51
Rot. Bonds6

About 5-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-1-phenylpyrazole-3-carboxamide

5-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 55779851) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-1-phenylpyrazole-3-carboxamide
PubChem CID55779851
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name5-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCOC2CCCCC2C)nn1-c1ccccc1
InChIInChI=1S/C20H27N3O2/c1-15-8-6-7-11-19(15)25-13-12-21-20(24)18-14-16(2)23(22-18)17-9-4-3-5-10-17/h3-5,9-10,14-15,19H,6-8,11-13H2,1-2H3,(H,21,24)
InChIKeySRTMBRNTZZGLHF-UHFFFAOYSA-N
XLogP3.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.51
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 5-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-1-phenylpyrazole-3-carboxamide (CID 55779851) is 5-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)NCCOC2CCCCC2C)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is SRTMBRNTZZGLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15-8-6-7-11-19(15)25-13-12-21-20(24)18-14-16(2)23(22-18)17-9-4-3-5-10-17/h3-5,9-10,14-15,19H,6-8,11-13H2,1-2H3,(H,21,24).
What are the key properties of 5-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-1-phenylpyrazole-3-carboxamide?
5-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55779851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).