2-ethyl-5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide

C21H24N4O2 — CID 134712220

About 2-ethyl-5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide

2-ethyl-5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide (PubChem CID 134712220) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide
• PubChem CID: 134712220
• Molecular Formula: C21H24N4O2
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.19
• IUPAC Name: 2-ethyl-5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide
• SMILES: CCn1nc(C)cc1C(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12
• InChI: InChI=1S/C21H24N4O2/c1-3-25-20(10-14(2)24-25)21(26)23-19-13-27-12-16(19)11-15-8-9-22-18-7-5-4-6-17(15)18/h4-10,16,19H,3,11-13H2,1-2H3,(H,23,26)/t16-,19-/m1/s1
• InChIKey: RORJEGUHUMJGST-VQIMIIECSA-N
• XLogP: 2.75
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide?

The IUPAC name of 2-ethyl-5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide (CID 134712220) is 2-ethyl-5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide.

What is the SMILES notation for 2-ethyl-5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide?

The canonical SMILES for 2-ethyl-5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12.

What is the InChIKey of 2-ethyl-5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide?

The InChIKey is RORJEGUHUMJGST-VQIMIIECSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-25-20(10-14(2)24-25)21(26)23-19-13-27-12-16(19)11-15-8-9-22-18-7-5-4-6-17(15)18/h4-10,16,19H,3,11-13H2,1-2H3,(H,23,26)/t16-,19-/m1/s1.

What are the key properties of 2-ethyl-5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide?

2-ethyl-5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 134712220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).