5-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide

C20H20ClN3O2 — CID 18289978

IUPAC5-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O2/c1-13-3-8-18(26-2)15(11-13)9-10-22-20(25)17-12-23-24-19(17)14-4-6-16(21)7-5-14/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyIZJGMCRAMYUDTA-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.02
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide

5-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 18289978) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID18289978
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name5-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O2/c1-13-3-8-18(26-2)15(11-13)9-10-22-20(25)17-12-23-24-19(17)14-4-6-16(21)7-5-14/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyIZJGMCRAMYUDTA-UHFFFAOYSA-N
XLogP4.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide (CID 18289978) is 5-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide is COc1ccc(C)cc1CCNC(=O)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is IZJGMCRAMYUDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-13-3-8-18(26-2)15(11-13)9-10-22-20(25)17-12-23-24-19(17)14-4-6-16(21)7-5-14/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 18289978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).