N-(3-methoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C19H16N4O2S — CID 53040480

IUPACN-(3-methoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C)n3nc(-c4cccs4)cc3n2)c1
InChIInChI=1S/C19H16N4O2S/c1-12-9-16(19(24)20-13-5-3-6-14(10-13)25-2)21-18-11-15(22-23(12)18)17-7-4-8-26-17/h3-11H,1-2H3,(H,20,24)
InChIKeyXZRXZPNNQDWPRI-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.03
Rot. Bonds4

About N-(3-methoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-(3-methoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040480) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040480
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-(3-methoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C)n3nc(-c4cccs4)cc3n2)c1
InChIInChI=1S/C19H16N4O2S/c1-12-9-16(19(24)20-13-5-3-6-14(10-13)25-2)21-18-11-15(22-23(12)18)17-7-4-8-26-17/h3-11H,1-2H3,(H,20,24)
InChIKeyXZRXZPNNQDWPRI-UHFFFAOYSA-N
XLogP4.03
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040477
7-methyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040519
N-[(4-fluorophenyl)methyl]-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040500
N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279593
2-(furan-2-yl)-7-methyl-N-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53175373
5-methoxycarbonyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 59461413
methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]benzoate
CID 53041004
N-(3-methoxyphenyl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 7190352
6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850479
2-methyl-N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 121036572
N-(3-methoxyphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040846
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040480) is N-(3-methoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is COc1cccc(NC(=O)c2cc(C)n3nc(-c4cccs4)cc3n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is XZRXZPNNQDWPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-12-9-16(19(24)20-13-5-3-6-14(10-13)25-2)21-18-11-15(22-23(12)18)17-7-4-8-26-17/h3-11H,1-2H3,(H,20,24).
What are the key properties of N-(3-methoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-(3-methoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).