N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide

C26H21N5O2 — CID 112830947

About N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide (PubChem CID 112830947) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide
• PubChem CID: 112830947
• Molecular Formula: C26H21N5O2
• Molecular Weight: 435.49 g/mol
• Exact Mass: 435.17
• IUPAC Name: N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide
• SMILES: Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccccc2)c1C1CC1
• InChI: InChI=1S/C26H21N5O2/c1-17-14-21(33-26-19(15-27)6-5-13-28-26)11-12-23(17)30-25(32)22-16-29-31(24(22)18-9-10-18)20-7-3-2-4-8-20/h2-8,11-14,16,18H,9-10H2,1H3,(H,30,32)
• InChIKey: ORWZCPGWDGKOAV-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 92.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.49
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide?

The IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide (CID 112830947) is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide.

What is the SMILES notation for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide?

The canonical SMILES for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide is Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccccc2)c1C1CC1.

What is the InChIKey of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide?

The InChIKey is ORWZCPGWDGKOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c1-17-14-21(33-26-19(15-27)6-5-13-28-26)11-12-23(17)30-25(32)22-16-29-31(24(22)18-9-10-18)20-7-3-2-4-8-20/h2-8,11-14,16,18H,9-10H2,1H3,(H,30,32).

What are the key properties of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide?

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 112830947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).