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

C21H18N4OS — CID 24655628

IUPAC2,7-dimethyl-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)Nc3ccccc3Sc3ccccc3)c(C)n2n1
InChIInChI=1S/C21H18N4OS/c1-14-12-20-22-13-17(15(2)25(20)24-14)21(26)23-18-10-6-7-11-19(18)27-16-8-4-3-5-9-16/h3-13H,1-2H3,(H,23,26)
InChIKeyGYNHEAVBWUHTKW-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.75
Rot. Bonds4

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

2,7-dimethyl-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 24655628) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is 2,7-dimethyl-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,7-dimethyl-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID24655628
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name2,7-dimethyl-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)Nc3ccccc3Sc3ccccc3)c(C)n2n1
InChIInChI=1S/C21H18N4OS/c1-14-12-20-22-13-17(15(2)25(20)24-14)21(26)23-18-10-6-7-11-19(18)27-16-8-4-3-5-9-16/h3-13H,1-2H3,(H,23,26)
InChIKeyGYNHEAVBWUHTKW-UHFFFAOYSA-N
XLogP4.75
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,7-dimethyl-N-(3-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641461
2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714222
2,6-dimethyl-N-(2-phenylsulfanylphenyl)pyridine-3-carboxamide
CID 55870685
5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylsulfanylphenyl)pyrazole-4-carboxamide
CID 167968258
2,7-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641626
N-[1-(hydroxymethyl)cyclopropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 115877516
2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid
CID 62696101
2-[2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241897
N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811834
N-[1-(hydroxymethyl)cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 115877997
4-chloro-1,3-dimethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide
CID 19476882
4-bromo-1,3-dimethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide
CID 19480342

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2,7-dimethyl-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 24655628) is 2,7-dimethyl-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,7-dimethyl-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2,7-dimethyl-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1cc2ncc(C(=O)Nc3ccccc3Sc3ccccc3)c(C)n2n1.
What is the InChIKey of 2,7-dimethyl-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is GYNHEAVBWUHTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-14-12-20-22-13-17(15(2)25(20)24-14)21(26)23-18-10-6-7-11-19(18)27-16-8-4-3-5-9-16/h3-13H,1-2H3,(H,23,26).
What are the key properties of 2,7-dimethyl-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
2,7-dimethyl-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 24655628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).