3-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H17ClN6O — CID 95559023

About 3-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 95559023) has the molecular formula C16H17ClN6O and a molecular weight of 344.81 g/mol. Its IUPAC name is 3-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 95559023
• Molecular Formula: C16H17ClN6O
• Molecular Weight: 344.81 g/mol
• Exact Mass: 344.12
• IUPAC Name: 3-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1cnc2c(Cl)c(C(=O)N[C@H](c3nccn3C)C3CC3)nn2c1
• InChI: InChI=1S/C16H17ClN6O/c1-9-7-19-14-11(17)13(21-23(14)8-9)16(24)20-12(10-3-4-10)15-18-5-6-22(15)2/h5-8,10,12H,3-4H2,1-2H3,(H,20,24)/t12-/m0/s1
• InChIKey: VSHXRVVEBDKQFW-LBPRGKRZSA-N
• XLogP: 2.31
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.81
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 3-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 95559023) is 3-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 3-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 3-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cnc2c(Cl)c(C(=O)N[C@H](c3nccn3C)C3CC3)nn2c1.

What is the InChIKey of 3-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is VSHXRVVEBDKQFW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17ClN6O/c1-9-7-19-14-11(17)13(21-23(14)8-9)16(24)20-12(10-3-4-10)15-18-5-6-22(15)2/h5-8,10,12H,3-4H2,1-2H3,(H,20,24)/t12-/m0/s1.

What are the key properties of 3-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?

3-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 344.81 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 95559023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).