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

C22H24ClN5O3 — CID 56833594

IUPAC3-(4-chloro-3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide
SMILESCOc1cc(-c2nn(C(=O)NCCN3CCOCC3)cc2-c2ccncc2)ccc1Cl
InChIInChI=1S/C22H24ClN5O3/c1-30-20-14-17(2-3-19(20)23)21-18(16-4-6-24-7-5-16)15-28(26-21)22(29)25-8-9-27-10-12-31-13-11-27/h2-7,14-15H,8-13H2,1H3,(H,25,29)
InChIKeyWKXSMINKEJZWKO-UHFFFAOYSA-N
MW441.92 g/mol
LogP3.16
Rot. Bonds6

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

3-(4-chloro-3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide (PubChem CID 56833594) has the molecular formula C22H24ClN5O3 and a molecular weight of 441.92 g/mol. Its IUPAC name is 3-(4-chloro-3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide
PubChem CID56833594
Molecular FormulaC22H24ClN5O3
Molecular Weight441.92 g/mol
Exact Mass441.16
IUPAC Name3-(4-chloro-3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide
SMILESCOc1cc(-c2nn(C(=O)NCCN3CCOCC3)cc2-c2ccncc2)ccc1Cl
InChIInChI=1S/C22H24ClN5O3/c1-30-20-14-17(2-3-19(20)23)21-18(16-4-6-24-7-5-16)15-28(26-21)22(29)25-8-9-27-10-12-31-13-11-27/h2-7,14-15H,8-13H2,1H3,(H,25,29)
InChIKeyWKXSMINKEJZWKO-UHFFFAOYSA-N
XLogP3.16
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide?
The IUPAC name of 3-(4-chloro-3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide (CID 56833594) is 3-(4-chloro-3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide.
What is the SMILES notation for 3-(4-chloro-3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide?
The canonical SMILES for 3-(4-chloro-3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide is COc1cc(-c2nn(C(=O)NCCN3CCOCC3)cc2-c2ccncc2)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide?
The InChIKey is WKXSMINKEJZWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O3/c1-30-20-14-17(2-3-19(20)23)21-18(16-4-6-24-7-5-16)15-28(26-21)22(29)25-8-9-27-10-12-31-13-11-27/h2-7,14-15H,8-13H2,1H3,(H,25,29).
What are the key properties of 3-(4-chloro-3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide?
3-(4-chloro-3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide has a molecular weight of 441.92 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-pyridin-4-ylpyrazole-1-carboxamide is sourced from PubChem (CID 56833594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).