N-[3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide

C21H18N4O2 — CID 10133022

IUPACN-[3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide
SMILESCOc1ccc(-c2cnc3c(-c4cccc(NC(C)=O)c4)cnn3c2)cc1
InChIInChI=1S/C21H18N4O2/c1-14(26)24-18-5-3-4-16(10-18)20-12-23-25-13-17(11-22-21(20)25)15-6-8-19(27-2)9-7-15/h3-13H,1-2H3,(H,24,26)
InChIKeyMKLMTAKVAQWGLH-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.03
Rot. Bonds4

About N-[3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide

N-[3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide (PubChem CID 10133022) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide
PubChem CID10133022
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide
SMILESCOc1ccc(-c2cnc3c(-c4cccc(NC(C)=O)c4)cnn3c2)cc1
InChIInChI=1S/C21H18N4O2/c1-14(26)24-18-5-3-4-16(10-18)20-12-23-25-13-17(11-22-21(20)25)15-6-8-19(27-2)9-7-15/h3-13H,1-2H3,(H,24,26)
InChIKeyMKLMTAKVAQWGLH-UHFFFAOYSA-N
XLogP4.03
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-3-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]urea
CID 59320954
N-[3-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide
CID 155548764
N-cyclopropyl-4-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 24758311
4-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]isoquinoline;bis(2,2,2-trifluoroacetic acid)
CID 57339390
N-(3-pyrazolo[1,5-a]pyridin-3-ylphenyl)acetamide
CID 66592668
1-[3-[6-[4-[(2R,6S)-2,6-dimethylpiperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanone
CID 167544562
N-[3-[5-(2-hydroxyethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide
CID 24992595
2-(3-acetamidophenyl)-5-methoxybenzoic acid
CID 53227035
3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide
CID 59603987
N-[3-[6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide
CID 59320970
1-[3-[6-(3-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;hydrochloride
CID 68595425
N-[3-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]acetamide
CID 154687718

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide (CID 10133022) is N-[3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide is COc1ccc(-c2cnc3c(-c4cccc(NC(C)=O)c4)cnn3c2)cc1.
What is the InChIKey of N-[3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide?
The InChIKey is MKLMTAKVAQWGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14(26)24-18-5-3-4-16(10-18)20-12-23-25-13-17(11-22-21(20)25)15-6-8-19(27-2)9-7-15/h3-13H,1-2H3,(H,24,26).
What are the key properties of N-[3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide?
N-[3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide has a molecular weight of 358.40 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide is sourced from PubChem (CID 10133022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).