2-(4-fluoro-3-methoxyphenyl)-7-(2-iminocyclohex-3-en-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H22FN5O2 — CID 137150587

About 2-(4-fluoro-3-methoxyphenyl)-7-(2-iminocyclohex-3-en-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-(4-fluoro-3-methoxyphenyl)-7-(2-iminocyclohex-3-en-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137150587) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyphenyl)-7-(2-iminocyclohex-3-en-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluoro-3-methoxyphenyl)-7-(2-iminocyclohex-3-en-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137150587
• Molecular Formula: C20H22FN5O2
• Molecular Weight: 383.43 g/mol
• Exact Mass: 383.18
• IUPAC Name: 2-(4-fluoro-3-methoxyphenyl)-7-(2-iminocyclohex-3-en-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: [H]/N=C1\C=CCCC1C1CCNc2c(C(N)=O)c(-c3ccc(F)c(OC)c3)nn21
• InChI: InChI=1S/C20H22FN5O2/c1-28-16-10-11(6-7-13(16)21)18-17(19(23)27)20-24-9-8-15(26(20)25-18)12-4-2-3-5-14(12)22/h3,5-7,10,12,15,22,24H,2,4,8-9H2,1H3,(H2,23,27)/b22-14+
• InChIKey: KYSKZEHYHZHEJG-HYARGMPZSA-N
• XLogP: 3.14
• TPSA: 106.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.43
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-7-(2-iminocyclohex-3-en-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-7-(2-iminocyclohex-3-en-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137150587) is 2-(4-fluoro-3-methoxyphenyl)-7-(2-iminocyclohex-3-en-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-(4-fluoro-3-methoxyphenyl)-7-(2-iminocyclohex-3-en-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-(4-fluoro-3-methoxyphenyl)-7-(2-iminocyclohex-3-en-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is [H]/N=C1\C=CCCC1C1CCNc2c(C(N)=O)c(-c3ccc(F)c(OC)c3)nn21.

What is the InChIKey of 2-(4-fluoro-3-methoxyphenyl)-7-(2-iminocyclohex-3-en-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is KYSKZEHYHZHEJG-HYARGMPZSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-28-16-10-11(6-7-13(16)21)18-17(19(23)27)20-24-9-8-15(26(20)25-18)12-4-2-3-5-14(12)22/h3,5-7,10,12,15,22,24H,2,4,8-9H2,1H3,(H2,23,27)/b22-14+.

What are the key properties of 2-(4-fluoro-3-methoxyphenyl)-7-(2-iminocyclohex-3-en-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-(4-fluoro-3-methoxyphenyl)-7-(2-iminocyclohex-3-en-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluoro-3-methoxyphenyl)-7-(2-iminocyclohex-3-en-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137150587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).