1-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-propylpyrazole-4-carboxamide

C23H26ClN3O3 — CID 90739672

IUPAC1-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)NCCc2cc(OC)cc(OC)c2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C23H26ClN3O3/c1-4-5-22-21(15-26-27(22)18-8-6-17(24)7-9-18)23(28)25-11-10-16-12-19(29-2)14-20(13-16)30-3/h6-9,12-15H,4-5,10-11H2,1-3H3,(H,25,28)
InChIKeyKUCHQDZXYSLRDB-UHFFFAOYSA-N
MW427.93 g/mol
LogP4.47
Rot. Bonds9

About 1-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-propylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-propylpyrazole-4-carboxamide (PubChem CID 90739672) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-propylpyrazole-4-carboxamide
PubChem CID90739672
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name1-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)NCCc2cc(OC)cc(OC)c2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C23H26ClN3O3/c1-4-5-22-21(15-26-27(22)18-8-6-17(24)7-9-18)23(28)25-11-10-16-12-19(29-2)14-20(13-16)30-3/h6-9,12-15H,4-5,10-11H2,1-3H3,(H,25,28)
InChIKeyKUCHQDZXYSLRDB-UHFFFAOYSA-N
XLogP4.47
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-propylpyrazole-4-carboxamide
CID 91554312
N-[2-(4-chlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 91440664
1-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-propylpyrazole-4-carboxamide
CID 90716009
N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 91047147
1-(4-chlorophenyl)-N-(3-methylsulfonylphenyl)-5-propylpyrazole-4-carboxamide
CID 91236728
1-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-5-propylpyrazole-4-carboxamide
CID 90868671
1-(4-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methylpyrazole-4-carboxamide
CID 24629688
1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 30436764
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924020
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46666819
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-phenyl-5-propylpyrazole-4-carboxamide
CID 2811257
1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 39562340

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-propylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-propylpyrazole-4-carboxamide (CID 90739672) is 1-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-propylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)NCCc2cc(OC)cc(OC)c2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-propylpyrazole-4-carboxamide?
The InChIKey is KUCHQDZXYSLRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-4-5-22-21(15-26-27(22)18-8-6-17(24)7-9-18)23(28)25-11-10-16-12-19(29-2)14-20(13-16)30-3/h6-9,12-15H,4-5,10-11H2,1-3H3,(H,25,28).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-propylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-propylpyrazole-4-carboxamide has a molecular weight of 427.93 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 90739672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).