5,7-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H20N6O — CID 19440727

IUPAC5,7-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cccc(Cn2ccc(NC(=O)c3cnn4c(C)cc(C)nc34)n2)c1
InChIInChI=1S/C20H20N6O/c1-13-5-4-6-16(9-13)12-25-8-7-18(24-25)23-20(27)17-11-21-26-15(3)10-14(2)22-19(17)26/h4-11H,12H2,1-3H3,(H,23,24,27)
InChIKeyRRJUSXMPQNVGSI-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.15
Rot. Bonds4

About 5,7-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19440727) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 5,7-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19440727
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name5,7-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cccc(Cn2ccc(NC(=O)c3cnn4c(C)cc(C)nc34)n2)c1
InChIInChI=1S/C20H20N6O/c1-13-5-4-6-16(9-13)12-25-8-7-18(24-25)23-20(27)17-11-21-26-15(3)10-14(2)22-19(17)26/h4-11H,12H2,1-3H3,(H,23,24,27)
InChIKeyRRJUSXMPQNVGSI-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(difluoromethyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416397
7-(difluoromethyl)-5-(4-fluorophenyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19460008
5,7-dimethyl-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166189227
4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400896
4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400841
1,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19279717
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
7-[chloro(difluoro)methyl]-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19458106
2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400996
2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400990
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440746
N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 45154055

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19440727) is 5,7-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cccc(Cn2ccc(NC(=O)c3cnn4c(C)cc(C)nc34)n2)c1.
What is the InChIKey of 5,7-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RRJUSXMPQNVGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13-5-4-6-16(9-13)12-25-8-7-18(24-25)23-20(27)17-11-21-26-15(3)10-14(2)22-19(17)26/h4-11H,12H2,1-3H3,(H,23,24,27).
What are the key properties of 5,7-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19440727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).