3-(4-chloro-3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide

C23H26ClN5O2 — CID 56593473

IUPAC3-(4-chloro-3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide
SMILESCOc1cc(-c2nn(C(=O)NCCN3CCCCC3)cc2-c2ccncc2)ccc1Cl
InChIInChI=1S/C23H26ClN5O2/c1-31-21-15-18(5-6-20(21)24)22-19(17-7-9-25-10-8-17)16-29(27-22)23(30)26-11-14-28-12-3-2-4-13-28/h5-10,15-16H,2-4,11-14H2,1H3,(H,26,30)
InChIKeyZRUGHMRGWDKBAQ-UHFFFAOYSA-N
MW439.95 g/mol
LogP4.32
Rot. Bonds6

About 3-(4-chloro-3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide

3-(4-chloro-3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide (PubChem CID 56593473) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is 3-(4-chloro-3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide
PubChem CID56593473
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC Name3-(4-chloro-3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide
SMILESCOc1cc(-c2nn(C(=O)NCCN3CCCCC3)cc2-c2ccncc2)ccc1Cl
InChIInChI=1S/C23H26ClN5O2/c1-31-21-15-18(5-6-20(21)24)22-19(17-7-9-25-10-8-17)16-29(27-22)23(30)26-11-14-28-12-3-2-4-13-28/h5-10,15-16H,2-4,11-14H2,1H3,(H,26,30)
InChIKeyZRUGHMRGWDKBAQ-UHFFFAOYSA-N
XLogP4.32
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide?
The IUPAC name of 3-(4-chloro-3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide (CID 56593473) is 3-(4-chloro-3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide.
What is the SMILES notation for 3-(4-chloro-3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide?
The canonical SMILES for 3-(4-chloro-3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide is COc1cc(-c2nn(C(=O)NCCN3CCCCC3)cc2-c2ccncc2)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide?
The InChIKey is ZRUGHMRGWDKBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2/c1-31-21-15-18(5-6-20(21)24)22-19(17-7-9-25-10-8-17)16-29(27-22)23(30)26-11-14-28-12-3-2-4-13-28/h5-10,15-16H,2-4,11-14H2,1H3,(H,26,30).
What are the key properties of 3-(4-chloro-3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide?
3-(4-chloro-3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide has a molecular weight of 439.95 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide is sourced from PubChem (CID 56593473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).