N-(3-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C16H16N4O2 — CID 36704623

IUPACN-(3-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc3cc(C)nn3c2C)c1
InChIInChI=1S/C16H16N4O2/c1-10-7-15-17-9-14(11(2)20(15)19-10)16(21)18-12-5-4-6-13(8-12)22-3/h4-9H,1-3H3,(H,18,21)
InChIKeyMDAVRYRCFRLMAJ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.61
Rot. Bonds3

About N-(3-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-(3-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 36704623) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID36704623
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-(3-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc3cc(C)nn3c2C)c1
InChIInChI=1S/C16H16N4O2/c1-10-7-15-17-9-14(11(2)20(15)19-10)16(21)18-12-5-4-6-13(8-12)22-3/h4-9H,1-3H3,(H,18,21)
InChIKeyMDAVRYRCFRLMAJ-UHFFFAOYSA-N
XLogP2.61
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azetidine-1-carbonyl)-N-[2-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57378844
N-[3-({2-[(Cyclopropylcarbonyl)amino]imidazo[1,2-B]pyridazin-6-Yl}oxy)phenyl]-1,3-Dimethyl-1h-Pyrazole-5-Carboxamide
CID 57505507
N-(3-methoxyphenyl)-1-methyl-6-morpholino-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456450
N-(3-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456451
7-[(2-Amino-2-methylpropyl)amino]-2-[(3,5-dimethoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 16743447
HCAR2 agonist 1
CID 25101223
6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137348687
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378494
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(2-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378960
n-[3-({2-[(Cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,5-dimethyl-1h-pyrazole-3-carboxamide
CID 57505514
7-(difluoromethyl)-N-(2-methoxybenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 975142
7-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4197086

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 36704623) is N-(3-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is COc1cccc(NC(=O)c2cnc3cc(C)nn3c2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is MDAVRYRCFRLMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-7-15-17-9-14(11(2)20(15)19-10)16(21)18-12-5-4-6-13(8-12)22-3/h4-9H,1-3H3,(H,18,21).
What are the key properties of N-(3-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(3-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 36704623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).