N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H15ClN6OS — CID 19403252

About N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19403252) has the molecular formula C21H15ClN6OS and a molecular weight of 434.91 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19403252
• Molecular Formula: C21H15ClN6OS
• Molecular Weight: 434.91 g/mol
• Exact Mass: 434.07
• IUPAC Name: N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(Nc1ccn(Cc2cccc(Cl)c2)n1)c1cnn2c(-c3cccs3)ccnc12
• InChI: InChI=1S/C21H15ClN6OS/c22-15-4-1-3-14(11-15)13-27-9-7-19(26-27)25-21(29)16-12-24-28-17(6-8-23-20(16)28)18-5-2-10-30-18/h1-12H,13H2,(H,25,26,29)
• InChIKey: MUCBVUXKBPLTBY-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.91
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19403252) is N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccn(Cc2cccc(Cl)c2)n1)c1cnn2c(-c3cccs3)ccnc12.

What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is MUCBVUXKBPLTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN6OS/c22-15-4-1-3-14(11-15)13-27-9-7-19(26-27)25-21(29)16-12-24-28-17(6-8-23-20(16)28)18-5-2-10-30-18/h1-12H,13H2,(H,25,26,29).

What are the key properties of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 434.91 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19403252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).