1-ethyl-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide

C22H29N5O — CID 42591847

About 1-ethyl-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide

1-ethyl-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 42591847) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-ethyl-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide
• PubChem CID: 42591847
• Molecular Formula: C22H29N5O
• Molecular Weight: 379.51 g/mol
• Exact Mass: 379.24
• IUPAC Name: 1-ethyl-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide
• SMILES: CCn1nc(C(C)C)cc1C(=O)N[C@@H](C)c1cnn(-c2ccccc2C)c1C
• InChI: InChI=1S/C22H29N5O/c1-7-26-21(12-19(25-26)14(2)3)22(28)24-16(5)18-13-23-27(17(18)6)20-11-9-8-10-15(20)4/h8-14,16H,7H2,1-6H3,(H,24,28)/t16-/m0/s1
• InChIKey: FYSVPBPDLVXJHK-INIZCTEOSA-N
• XLogP: 4.32
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.51
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide?

The IUPAC name of 1-ethyl-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide (CID 42591847) is 1-ethyl-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide.

What is the SMILES notation for 1-ethyl-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide?

The canonical SMILES for 1-ethyl-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)N[C@@H](C)c1cnn(-c2ccccc2C)c1C.

What is the InChIKey of 1-ethyl-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide?

The InChIKey is FYSVPBPDLVXJHK-INIZCTEOSA-N. The full InChI is InChI=1S/C22H29N5O/c1-7-26-21(12-19(25-26)14(2)3)22(28)24-16(5)18-13-23-27(17(18)6)20-11-9-8-10-15(20)4/h8-14,16H,7H2,1-6H3,(H,24,28)/t16-/m0/s1.

What are the key properties of 1-ethyl-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide?

1-ethyl-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-[(1S)-1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 42591847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).