5-(3-chlorophenyl)-N-[(4-propoxyphenyl)methyl]-1H-pyrazole-4-carboxamide

C20H20ClN3O2 — CID 53490359

IUPAC5-(3-chlorophenyl)-N-[(4-propoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H20ClN3O2/c1-2-10-26-17-8-6-14(7-9-17)12-22-20(25)18-13-23-24-19(18)15-4-3-5-16(21)11-15/h3-9,11,13H,2,10,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyUFBSZQDWAYUPGJ-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.45
Rot. Bonds7

About 5-(3-chlorophenyl)-N-[(4-propoxyphenyl)methyl]-1H-pyrazole-4-carboxamide

5-(3-chlorophenyl)-N-[(4-propoxyphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 53490359) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[(4-propoxyphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[(4-propoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID53490359
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name5-(3-chlorophenyl)-N-[(4-propoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H20ClN3O2/c1-2-10-26-17-8-6-14(7-9-17)12-22-20(25)18-13-23-24-19(18)15-4-3-5-16(21)11-15/h3-9,11,13H,2,10,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyUFBSZQDWAYUPGJ-UHFFFAOYSA-N
XLogP4.45
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[(4-propoxyphenyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[(4-propoxyphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 53490359) is 5-(3-chlorophenyl)-N-[(4-propoxyphenyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[(4-propoxyphenyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[(4-propoxyphenyl)methyl]-1H-pyrazole-4-carboxamide is CCCOc1ccc(CNC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[(4-propoxyphenyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is UFBSZQDWAYUPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-2-10-26-17-8-6-14(7-9-17)12-22-20(25)18-13-23-24-19(18)15-4-3-5-16(21)11-15/h3-9,11,13H,2,10,12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 5-(3-chlorophenyl)-N-[(4-propoxyphenyl)methyl]-1H-pyrazole-4-carboxamide?
5-(3-chlorophenyl)-N-[(4-propoxyphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[(4-propoxyphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53490359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).