4-chloro-3-ethyl-N-[[4-(4-ethylphenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide

C22H24ClN3O2 — CID 15008437

IUPAC4-chloro-3-ethyl-N-[[4-(4-ethylphenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1ccc(Oc2ccc(CNC(=O)c3c(Cl)c(CC)nn3C)cc2)cc1
InChIInChI=1S/C22H24ClN3O2/c1-4-15-6-10-17(11-7-15)28-18-12-8-16(9-13-18)14-24-22(27)21-20(23)19(5-2)25-26(21)3/h6-13H,4-5,14H2,1-3H3,(H,24,27)
InChIKeyZJBGNQFYDYGUAJ-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.92
Rot. Bonds7

About 4-chloro-3-ethyl-N-[[4-(4-ethylphenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide

4-chloro-3-ethyl-N-[[4-(4-ethylphenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide (PubChem CID 15008437) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 4-chloro-3-ethyl-N-[[4-(4-ethylphenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-3-ethyl-N-[[4-(4-ethylphenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide
PubChem CID15008437
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name4-chloro-3-ethyl-N-[[4-(4-ethylphenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1ccc(Oc2ccc(CNC(=O)c3c(Cl)c(CC)nn3C)cc2)cc1
InChIInChI=1S/C22H24ClN3O2/c1-4-15-6-10-17(11-7-15)28-18-12-8-16(9-13-18)14-24-22(27)21-20(23)19(5-2)25-26(21)3/h6-13H,4-5,14H2,1-3H3,(H,24,27)
InChIKeyZJBGNQFYDYGUAJ-UHFFFAOYSA-N
XLogP4.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-N-[[4-(4-ethylphenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-3-ethyl-N-[[4-(4-ethylphenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide (CID 15008437) is 4-chloro-3-ethyl-N-[[4-(4-ethylphenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-3-ethyl-N-[[4-(4-ethylphenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-3-ethyl-N-[[4-(4-ethylphenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide is CCc1ccc(Oc2ccc(CNC(=O)c3c(Cl)c(CC)nn3C)cc2)cc1.
What is the InChIKey of 4-chloro-3-ethyl-N-[[4-(4-ethylphenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is ZJBGNQFYDYGUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-4-15-6-10-17(11-7-15)28-18-12-8-16(9-13-18)14-24-22(27)21-20(23)19(5-2)25-26(21)3/h6-13H,4-5,14H2,1-3H3,(H,24,27).
What are the key properties of 4-chloro-3-ethyl-N-[[4-(4-ethylphenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide?
4-chloro-3-ethyl-N-[[4-(4-ethylphenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-N-[[4-(4-ethylphenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 15008437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).