5-cyclopropyl-N-[(2R)-1-methoxybutan-2-yl]-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide

C23H27N5O3 — CID 26345059

About 5-cyclopropyl-N-[(2R)-1-methoxybutan-2-yl]-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide

5-cyclopropyl-N-[(2R)-1-methoxybutan-2-yl]-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide (PubChem CID 26345059) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2R)-1-methoxybutan-2-yl]-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[(2R)-1-methoxybutan-2-yl]-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
• PubChem CID: 26345059
• Molecular Formula: C23H27N5O3
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.21
• IUPAC Name: 5-cyclopropyl-N-[(2R)-1-methoxybutan-2-yl]-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
• SMILES: CC[C@H](COC)NC(=O)c1cnn(-c2nccc(-c3ccccc3OC)n2)c1C1CC1
• InChI: InChI=1S/C23H27N5O3/c1-4-16(14-30-2)26-22(29)18-13-25-28(21(18)15-9-10-15)23-24-12-11-19(27-23)17-7-5-6-8-20(17)31-3/h5-8,11-13,15-16H,4,9-10,14H2,1-3H3,(H,26,29)/t16-/m1/s1
• InChIKey: RXXDLCJMTPYQHM-MRXNPFEDSA-N
• XLogP: 3.37
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2R)-1-methoxybutan-2-yl]-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide?

The IUPAC name of 5-cyclopropyl-N-[(2R)-1-methoxybutan-2-yl]-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide (CID 26345059) is 5-cyclopropyl-N-[(2R)-1-methoxybutan-2-yl]-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-cyclopropyl-N-[(2R)-1-methoxybutan-2-yl]-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-[(2R)-1-methoxybutan-2-yl]-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide is CC[C@H](COC)NC(=O)c1cnn(-c2nccc(-c3ccccc3OC)n2)c1C1CC1.

What is the InChIKey of 5-cyclopropyl-N-[(2R)-1-methoxybutan-2-yl]-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide?

The InChIKey is RXXDLCJMTPYQHM-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-4-16(14-30-2)26-22(29)18-13-25-28(21(18)15-9-10-15)23-24-12-11-19(27-23)17-7-5-6-8-20(17)31-3/h5-8,11-13,15-16H,4,9-10,14H2,1-3H3,(H,26,29)/t16-/m1/s1.

What are the key properties of 5-cyclopropyl-N-[(2R)-1-methoxybutan-2-yl]-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide?

5-cyclopropyl-N-[(2R)-1-methoxybutan-2-yl]-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[(2R)-1-methoxybutan-2-yl]-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 26345059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).