1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-ethylpyrazole-4-carboxamide

C22H22ClF2N3O3 — CID 46589359

IUPAC1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCc2ccc(OC(F)F)c(OC)c2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C22H22ClF2N3O3/c1-3-18-17(13-27-28(18)16-6-4-5-15(23)12-16)21(29)26-10-9-14-7-8-19(31-22(24)25)20(11-14)30-2/h4-8,11-13,22H,3,9-10H2,1-2H3,(H,26,29)
InChIKeyZOBIGCPPFHORKH-UHFFFAOYSA-N
MW449.89 g/mol
LogP4.67
Rot. Bonds9

About 1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-ethylpyrazole-4-carboxamide

1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-ethylpyrazole-4-carboxamide (PubChem CID 46589359) has the molecular formula C22H22ClF2N3O3 and a molecular weight of 449.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-ethylpyrazole-4-carboxamide
PubChem CID46589359
Molecular FormulaC22H22ClF2N3O3
Molecular Weight449.89 g/mol
Exact Mass449.13
IUPAC Name1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCc2ccc(OC(F)F)c(OC)c2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C22H22ClF2N3O3/c1-3-18-17(13-27-28(18)16-6-4-5-15(23)12-16)21(29)26-10-9-14-7-8-19(31-22(24)25)20(11-14)30-2/h4-8,11-13,22H,3,9-10H2,1-2H3,(H,26,29)
InChIKeyZOBIGCPPFHORKH-UHFFFAOYSA-N
XLogP4.67
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.89
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methylpyrazole-4-carboxamide
CID 46588982
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 36746054
1-(4-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methylpyrazole-4-carboxamide
CID 24629688
1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 39562340
N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577690
1-(3-chlorophenyl)-N-(cyanomethyl)-5-ethylpyrazole-4-carboxamide
CID 52832765
1-(3-chlorophenyl)-5-ethyl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 46589827
2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide
CID 17480805
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-methylbenzamide
CID 27883593
1-(4-chlorophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 33283165
N-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46589750
5-chloro-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-nitrobenzamide
CID 8528872

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-ethylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-ethylpyrazole-4-carboxamide (CID 46589359) is 1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-ethylpyrazole-4-carboxamide is CCc1c(C(=O)NCCc2ccc(OC(F)F)c(OC)c2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-ethylpyrazole-4-carboxamide?
The InChIKey is ZOBIGCPPFHORKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF2N3O3/c1-3-18-17(13-27-28(18)16-6-4-5-15(23)12-16)21(29)26-10-9-14-7-8-19(31-22(24)25)20(11-14)30-2/h4-8,11-13,22H,3,9-10H2,1-2H3,(H,26,29).
What are the key properties of 1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-ethylpyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-ethylpyrazole-4-carboxamide has a molecular weight of 449.89 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 46589359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).