N-[(2R)-1-[3-(4-cyano-3-methylphenyl)pyrazol-1-yl]propan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

C23H21N7O — CID 70656693

About N-[(2R)-1-[3-(4-cyano-3-methylphenyl)pyrazol-1-yl]propan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

N-[(2R)-1-[3-(4-cyano-3-methylphenyl)pyrazol-1-yl]propan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 70656693) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is N-[(2R)-1-[3-(4-cyano-3-methylphenyl)pyrazol-1-yl]propan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[3-(4-cyano-3-methylphenyl)pyrazol-1-yl]propan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
• PubChem CID: 70656693
• Molecular Formula: C23H21N7O
• Molecular Weight: 411.47 g/mol
• Exact Mass: 411.18
• IUPAC Name: N-[(2R)-1-[3-(4-cyano-3-methylphenyl)pyrazol-1-yl]propan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
• SMILES: Cc1cc(-c2ccn(C[C@@H](C)NC(=O)c3cc(-c4ccncc4)n[nH]3)n2)ccc1C#N
• InChI: InChI=1S/C23H21N7O/c1-15-11-18(3-4-19(15)13-24)20-7-10-30(29-20)14-16(2)26-23(31)22-12-21(27-28-22)17-5-8-25-9-6-17/h3-12,16H,14H2,1-2H3,(H,26,31)(H,27,28)/t16-/m1/s1
• InChIKey: QTYMKWSOMGEWEE-MRXNPFEDSA-N
• XLogP: 3.33
• TPSA: 112.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.47
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[3-(4-cyano-3-methylphenyl)pyrazol-1-yl]propan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?

The IUPAC name of N-[(2R)-1-[3-(4-cyano-3-methylphenyl)pyrazol-1-yl]propan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 70656693) is N-[(2R)-1-[3-(4-cyano-3-methylphenyl)pyrazol-1-yl]propan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

What is the SMILES notation for N-[(2R)-1-[3-(4-cyano-3-methylphenyl)pyrazol-1-yl]propan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?

The canonical SMILES for N-[(2R)-1-[3-(4-cyano-3-methylphenyl)pyrazol-1-yl]propan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is Cc1cc(-c2ccn(C[C@@H](C)NC(=O)c3cc(-c4ccncc4)n[nH]3)n2)ccc1C#N.

What is the InChIKey of N-[(2R)-1-[3-(4-cyano-3-methylphenyl)pyrazol-1-yl]propan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?

The InChIKey is QTYMKWSOMGEWEE-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H21N7O/c1-15-11-18(3-4-19(15)13-24)20-7-10-30(29-20)14-16(2)26-23(31)22-12-21(27-28-22)17-5-8-25-9-6-17/h3-12,16H,14H2,1-2H3,(H,26,31)(H,27,28)/t16-/m1/s1.

What are the key properties of N-[(2R)-1-[3-(4-cyano-3-methylphenyl)pyrazol-1-yl]propan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?

N-[(2R)-1-[3-(4-cyano-3-methylphenyl)pyrazol-1-yl]propan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[3-(4-cyano-3-methylphenyl)pyrazol-1-yl]propan-2-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70656693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).