N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H20ClN5O2 — CID 42166205

About N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 42166205) has the molecular formula C23H20ClN5O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 42166205
• Molecular Formula: C23H20ClN5O2
• Molecular Weight: 433.90 g/mol
• Exact Mass: 433.13
• IUPAC Name: N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: C=C(Cl)COc1ccc(CN(Cc2cccnc2)C(=O)c2cnn3cccnc23)cc1
• InChI: InChI=1S/C23H20ClN5O2/c1-17(24)16-31-20-7-5-18(6-8-20)14-28(15-19-4-2-9-25-12-19)23(30)21-13-27-29-11-3-10-26-22(21)29/h2-13H,1,14-16H2
• InChIKey: COQNIKHZOOTOBX-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 72.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.90
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 42166205) is N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is C=C(Cl)COc1ccc(CN(Cc2cccnc2)C(=O)c2cnn3cccnc23)cc1.

What is the InChIKey of N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is COQNIKHZOOTOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2/c1-17(24)16-31-20-7-5-18(6-8-20)14-28(15-19-4-2-9-25-12-19)23(30)21-13-27-29-11-3-10-26-22(21)29/h2-13H,1,14-16H2.

What are the key properties of N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 42166205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).