(4S)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C19H15ClN4O2 — CID 1006238

About (4S)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

(4S)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 1006238) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is (4S)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

• Compound Name: (4S)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• PubChem CID: 1006238
• Molecular Formula: C19H15ClN4O2
• Molecular Weight: 366.81 g/mol
• Exact Mass: 366.09
• IUPAC Name: (4S)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• SMILES: CCc1[nH]nc2c1[C@@H](c1ccc(-c3ccc(Cl)cc3)o1)C(C#N)=C(N)O2
• InChI: InChI=1S/C19H15ClN4O2/c1-2-13-17-16(12(9-21)18(22)26-19(17)24-23-13)15-8-7-14(25-15)10-3-5-11(20)6-4-10/h3-8,16H,2,22H2,1H3,(H,23,24)/t16-/m1/s1
• InChIKey: XKTMTBSLRMSWEJ-MRXNPFEDSA-N
• XLogP: 4.10
• TPSA: 100.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.81
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4S)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The IUPAC name of (4S)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 1006238) is (4S)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

What is the SMILES notation for (4S)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The canonical SMILES for (4S)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCc1[nH]nc2c1[C@@H](c1ccc(-c3ccc(Cl)cc3)o1)C(C#N)=C(N)O2.

What is the InChIKey of (4S)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The InChIKey is XKTMTBSLRMSWEJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-2-13-17-16(12(9-21)18(22)26-19(17)24-23-13)15-8-7-14(25-15)10-3-5-11(20)6-4-10/h3-8,16H,2,22H2,1H3,(H,23,24)/t16-/m1/s1.

What are the key properties of (4S)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

(4S)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 366.81 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 1006238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).