6-(diethylaminomethyl)-N-[(1S)-1-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H23N7O — CID 95210862

About 6-(diethylaminomethyl)-N-[(1S)-1-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(diethylaminomethyl)-N-[(1S)-1-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 95210862) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-[(1S)-1-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(diethylaminomethyl)-N-[(1S)-1-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 95210862
• Molecular Formula: C17H23N7O
• Molecular Weight: 341.42 g/mol
• Exact Mass: 341.20
• IUPAC Name: 6-(diethylaminomethyl)-N-[(1S)-1-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCN(CC)Cc1cnc2c(C(=O)N[C@@H](C)c3ncc[nH]3)cnn2c1
• InChI: InChI=1S/C17H23N7O/c1-4-23(5-2)10-13-8-20-16-14(9-21-24(16)11-13)17(25)22-12(3)15-18-6-7-19-15/h6-9,11-12H,4-5,10H2,1-3H3,(H,18,19)(H,22,25)/t12-/m0/s1
• InChIKey: NSKGYQONOWALJT-LBPRGKRZSA-N
• XLogP: 1.79
• TPSA: 91.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.42
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-[(1S)-1-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 6-(diethylaminomethyl)-N-[(1S)-1-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 95210862) is 6-(diethylaminomethyl)-N-[(1S)-1-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 6-(diethylaminomethyl)-N-[(1S)-1-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 6-(diethylaminomethyl)-N-[(1S)-1-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)N[C@@H](C)c3ncc[nH]3)cnn2c1.

What is the InChIKey of 6-(diethylaminomethyl)-N-[(1S)-1-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is NSKGYQONOWALJT-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23N7O/c1-4-23(5-2)10-13-8-20-16-14(9-21-24(16)11-13)17(25)22-12(3)15-18-6-7-19-15/h6-9,11-12H,4-5,10H2,1-3H3,(H,18,19)(H,22,25)/t12-/m0/s1.

What are the key properties of 6-(diethylaminomethyl)-N-[(1S)-1-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

6-(diethylaminomethyl)-N-[(1S)-1-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(diethylaminomethyl)-N-[(1S)-1-(1H-imidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 95210862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).