2,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

C20H20N6O — CID 24641626

IUPAC2,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NC(c3ccccc3)c3nccn3C)c(C)n2n1
InChIInChI=1S/C20H20N6O/c1-13-11-17-22-12-16(14(2)26(17)24-13)20(27)23-18(15-7-5-4-6-8-15)19-21-9-10-25(19)3/h4-12,18H,1-3H3,(H,23,27)
InChIKeyJZVGJDZKKJVEGC-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.60
Rot. Bonds4

About 2,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

2,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 24641626) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID24641626
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NC(c3ccccc3)c3nccn3C)c(C)n2n1
InChIInChI=1S/C20H20N6O/c1-13-11-17-22-12-16(14(2)26(17)24-13)20(27)23-18(15-7-5-4-6-8-15)19-21-9-10-25(19)3/h4-12,18H,1-3H3,(H,23,27)
InChIKeyJZVGJDZKKJVEGC-UHFFFAOYSA-N
XLogP2.60
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714222
2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17406821
1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]pyrazole-4-carboxamide
CID 31358493
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933
1-ethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 125161306
2-(4,5-dimethylimidazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 90647674
3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17451841
2-(difluoromethoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25339816
2-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 55595371

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 24641626) is 2,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1cc2ncc(C(=O)NC(c3ccccc3)c3nccn3C)c(C)n2n1.
What is the InChIKey of 2,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is JZVGJDZKKJVEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13-11-17-22-12-16(14(2)26(17)24-13)20(27)23-18(15-7-5-4-6-8-15)19-21-9-10-25(19)3/h4-12,18H,1-3H3,(H,23,27).
What are the key properties of 2,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
2,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 24641626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).