1-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide

C25H29ClN4O3 — CID 24717746

IUPAC1-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCN3CCCCC3)n(-c3ccccc3Cl)n2)c(OC)c1
InChIInChI=1S/C25H29ClN4O3/c1-32-18-10-11-19(24(16-18)33-2)21-17-23(30(28-21)22-9-5-4-8-20(22)26)25(31)27-12-15-29-13-6-3-7-14-29/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H,27,31)
InChIKeyYDQBGJDJOYJGJO-UHFFFAOYSA-N
MW468.99 g/mol
LogP4.43
Rot. Bonds8

About 1-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide

1-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide (PubChem CID 24717746) has the molecular formula C25H29ClN4O3 and a molecular weight of 468.99 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
PubChem CID24717746
Molecular FormulaC25H29ClN4O3
Molecular Weight468.99 g/mol
Exact Mass468.19
IUPAC Name1-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCN3CCCCC3)n(-c3ccccc3Cl)n2)c(OC)c1
InChIInChI=1S/C25H29ClN4O3/c1-32-18-10-11-19(24(16-18)33-2)21-17-23(30(28-21)22-9-5-4-8-20(22)26)25(31)27-12-15-29-13-6-3-7-14-29/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H,27,31)
InChIKeyYDQBGJDJOYJGJO-UHFFFAOYSA-N
XLogP4.43
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.99
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide (CID 24717746) is 1-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCCN3CCCCC3)n(-c3ccccc3Cl)n2)c(OC)c1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
The InChIKey is YDQBGJDJOYJGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O3/c1-32-18-10-11-19(24(16-18)33-2)21-17-23(30(28-21)22-9-5-4-8-20(22)26)25(31)27-12-15-29-13-6-3-7-14-29/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H,27,31).
What are the key properties of 1-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
1-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide has a molecular weight of 468.99 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 24717746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).