3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide

C28H29N5O3 — CID 37489976

About 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide

3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide (PubChem CID 37489976) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
• PubChem CID: 37489976
• Molecular Formula: C28H29N5O3
• Molecular Weight: 483.57 g/mol
• Exact Mass: 483.23
• IUPAC Name: 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
• SMILES: COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCc2cccnc2N2CCOCC2)c1
• InChI: InChI=1S/C28H29N5O3/c1-20-8-10-23(11-9-20)33-19-25(26(31-33)21-5-3-7-24(17-21)35-2)28(34)30-18-22-6-4-12-29-27(22)32-13-15-36-16-14-32/h3-12,17,19H,13-16,18H2,1-2H3,(H,30,34)
• InChIKey: KNAGCOFGVLGPPD-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 81.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.57
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?

The IUPAC name of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide (CID 37489976) is 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide.

What is the SMILES notation for 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?

The canonical SMILES for 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide is COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)NCc2cccnc2N2CCOCC2)c1.

What is the InChIKey of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?

The InChIKey is KNAGCOFGVLGPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-20-8-10-23(11-9-20)33-19-25(26(31-33)21-5-3-7-24(17-21)35-2)28(34)30-18-22-6-4-12-29-27(22)32-13-15-36-16-14-32/h3-12,17,19H,13-16,18H2,1-2H3,(H,30,34).

What are the key properties of 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide?

3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 37489976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).