6-chloro-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H15ClN4O3 — CID 3522947

IUPAC6-chloro-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2c[nH]n3c(=O)c(Cl)c(C)nc23)c1
InChIInChI=1S/C16H15ClN4O3/c1-9-13(17)16(23)21-14(20-9)12(8-19-21)15(22)18-7-10-4-3-5-11(6-10)24-2/h3-6,8,19H,7H2,1-2H3,(H,18,22)
InChIKeyQNVLGWWWWQZNNK-UHFFFAOYSA-N
MW346.77 g/mol
LogP1.92
Rot. Bonds4

About 6-chloro-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-chloro-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 3522947) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is 6-chloro-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID3522947
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Name6-chloro-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2c[nH]n3c(=O)c(Cl)c(C)nc23)c1
InChIInChI=1S/C16H15ClN4O3/c1-9-13(17)16(23)21-14(20-9)12(8-19-21)15(22)18-7-10-4-3-5-11(6-10)24-2/h3-6,8,19H,7H2,1-2H3,(H,18,22)
InChIKeyQNVLGWWWWQZNNK-UHFFFAOYSA-N
XLogP1.92
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 3522947) is 6-chloro-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cccc(CNC(=O)c2c[nH]n3c(=O)c(Cl)c(C)nc23)c1.
What is the InChIKey of 6-chloro-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QNVLGWWWWQZNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c1-9-13(17)16(23)21-14(20-9)12(8-19-21)15(22)18-7-10-4-3-5-11(6-10)24-2/h3-6,8,19H,7H2,1-2H3,(H,18,22).
What are the key properties of 6-chloro-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-chloro-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 346.77 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3522947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).