7-(4-chlorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H15ClN4O4 — CID 135652087

IUPAC7-(4-chlorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(O)c(C2=Nc3c(C(N)=O)cnn3C(c3ccc(Cl)cc3)C2)c(=O)o1
InChIInChI=1S/C19H15ClN4O4/c1-9-6-15(25)16(19(27)28-9)13-7-14(10-2-4-11(20)5-3-10)24-18(23-13)12(8-22-24)17(21)26/h2-6,8,14,25H,7H2,1H3,(H2,21,26)
InChIKeyDEQRKELTFYPHKR-UHFFFAOYSA-N
MW398.81 g/mol
LogP2.72
Rot. Bonds3

About 7-(4-chlorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(4-chlorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135652087) has the molecular formula C19H15ClN4O4 and a molecular weight of 398.81 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(4-chlorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135652087
Molecular FormulaC19H15ClN4O4
Molecular Weight398.81 g/mol
Exact Mass398.08
IUPAC Name7-(4-chlorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(O)c(C2=Nc3c(C(N)=O)cnn3C(c3ccc(Cl)cc3)C2)c(=O)o1
InChIInChI=1S/C19H15ClN4O4/c1-9-6-15(25)16(19(27)28-9)13-7-14(10-2-4-11(20)5-3-10)24-18(23-13)12(8-22-24)17(21)26/h2-6,8,14,25H,7H2,1H3,(H2,21,26)
InChIKeyDEQRKELTFYPHKR-UHFFFAOYSA-N
XLogP2.72
TPSA123.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(7R)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-7-(4-hydroxyphenyl)-N-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135894824
4-hydroxy-6-methyl-3-(7-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)pyran-2-one
CID 135633328
4-hydroxy-3-[(7R)-7-(3-hydroxyphenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-6-methylpyran-2-one
CID 136842657
3-[2-(4-chlorophenyl)-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-hydroxy-6-methylpyran-2-one
CID 135400390
4-hydroxy-6-methyl-3-[(3S)-3-phenyl-2-propanoyl-3,4-dihydropyrazol-5-yl]pyran-2-one
CID 136842664
4-hydroxy-6-methyl-3-[(2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]pyran-2-one
CID 136688452
4-hydroxy-3-[2-(4-hydroxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methylpyran-2-one
CID 135526710
3-(4-chlorobenzoyl)-4-hydroxy-6-methylpyran-2-one
CID 135969026
3-[7-(1,3-benzodioxol-5-yl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-hydroxy-6-methylpyran-2-one
CID 135406046
3-(4-chlorophenyl)-5-(4-hydroxy-3-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide
CID 135849816
1-[3-(4-chlorophenyl)-5-(2,6-dihydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 135453059
4-hydroxy-3-[7-(4-hydroxy-3-methoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methylpyran-2-one
CID 135406100

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(4-chlorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135652087) is 7-(4-chlorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(4-chlorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(4-chlorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(O)c(C2=Nc3c(C(N)=O)cnn3C(c3ccc(Cl)cc3)C2)c(=O)o1.
What is the InChIKey of 7-(4-chlorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DEQRKELTFYPHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O4/c1-9-6-15(25)16(19(27)28-9)13-7-14(10-2-4-11(20)5-3-10)24-18(23-13)12(8-22-24)17(21)26/h2-6,8,14,25H,7H2,1H3,(H2,21,26).
What are the key properties of 7-(4-chlorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(4-chlorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 398.81 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-5-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135652087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).