N-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C17H18N4O — CID 110857591

IUPACN-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc2nc(C(=O)Nc3c(C)cccc3C)cc(C)n2n1
InChIInChI=1S/C17H18N4O/c1-10-6-5-7-11(2)16(10)19-17(22)14-9-13(4)21-15(18-14)8-12(3)20-21/h5-9H,1-4H3,(H,19,22)
InChIKeyNNKOCLPHTKXQHD-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.22
Rot. Bonds2

About N-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 110857591) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID110857591
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc2nc(C(=O)Nc3c(C)cccc3C)cc(C)n2n1
InChIInChI=1S/C17H18N4O/c1-10-6-5-7-11(2)16(10)19-17(22)14-9-13(4)21-15(18-14)8-12(3)20-21/h5-9H,1-4H3,(H,19,22)
InChIKeyNNKOCLPHTKXQHD-UHFFFAOYSA-N
XLogP3.22
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]benzoate
CID 53041004
2,7-dimethyl-N-quinolin-8-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110863548
N-(3-chloro-4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040999
N-(1,3-benzodioxol-5-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110863263
N-[2-(4-chlorophenyl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110853496
2,7-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110851998
2,7-dimethyl-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 126435315
5-cyclopropyl-N-(2,6-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447361
N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 74249294
N-(2,6-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262447
N-(2,6-dimethylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110857588
6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558422

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 110857591) is N-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is Cc1cc2nc(C(=O)Nc3c(C)cccc3C)cc(C)n2n1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is NNKOCLPHTKXQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-10-6-5-7-11(2)16(10)19-17(22)14-9-13(4)21-15(18-14)8-12(3)20-21/h5-9H,1-4H3,(H,19,22).
What are the key properties of N-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 110857591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).