cis-(1R,3S)-3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid

C15H17N3O4 — CID 120677392

About cis-(1R,3S)-3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120677392) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: cis-(1R,3S)-3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
• PubChem CID: 120677392
• Molecular Formula: C15H17N3O4
• Molecular Weight: 303.32 g/mol
• Exact Mass: 303.12
• IUPAC Name: cis-(1R,3S)-3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
• SMILES: Cc1ccc(-c2cc(C(=O)N[C@H]3CC[C@@H](C(=O)O)C3)n[nH]2)o1
• InChI: InChI=1S/C15H17N3O4/c1-8-2-5-13(22-8)11-7-12(18-17-11)14(19)16-10-4-3-9(6-10)15(20)21/h2,5,7,9-10H,3-4,6H2,1H3,(H,16,19)(H,17,18)(H,20,21)/t9-,10+/m1/s1
• InChIKey: QHMFYWFGFLSTNQ-ZJUUUORDSA-N
• XLogP: 1.96
• TPSA: 108.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.32
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid?

The IUPAC name of cis-(1R,3S)-3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 120677392) is cis-(1R,3S)-3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid.

What is the SMILES notation for cis-(1R,3S)-3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid?

The canonical SMILES for cis-(1R,3S)-3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid is Cc1ccc(-c2cc(C(=O)N[C@H]3CC[C@@H](C(=O)O)C3)n[nH]2)o1.

What is the InChIKey of cis-(1R,3S)-3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid?

The InChIKey is QHMFYWFGFLSTNQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-8-2-5-13(22-8)11-7-12(18-17-11)14(19)16-10-4-3-9(6-10)15(20)21/h2,5,7,9-10H,3-4,6H2,1H3,(H,16,19)(H,17,18)(H,20,21)/t9-,10+/m1/s1.

What are the key properties of cis-(1R,3S)-3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid?

cis-(1R,3S)-3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3S)-3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120677392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).