N,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H21N5O — CID 56865935

About N,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56865935) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 56865935
• Molecular Formula: C18H21N5O
• Molecular Weight: 323.40 g/mol
• Exact Mass: 323.17
• IUPAC Name: N,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1cnc2c(C(=O)N(C)C(C)Cc3ncccc3C)cnn2c1
• InChI: InChI=1S/C18H21N5O/c1-12-9-20-17-15(10-21-23(17)11-12)18(24)22(4)14(3)8-16-13(2)6-5-7-19-16/h5-7,9-11,14H,8H2,1-4H3
• InChIKey: YMRXSHFBNDPONZ-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 63.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.40
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56865935) is N,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)N(C)C(C)Cc3ncccc3C)cnn2c1.

What is the InChIKey of N,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is YMRXSHFBNDPONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-9-20-17-15(10-21-23(17)11-12)18(24)22(4)14(3)8-16-13(2)6-5-7-19-16/h5-7,9-11,14H,8H2,1-4H3.

What are the key properties of N,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56865935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).