N-(3-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H16N4O2 — CID 46435372

IUPACN-(3-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)c1
InChIInChI=1S/C20H16N4O2/c1-26-16-9-5-8-15(12-16)23-20(25)17-13-22-24-18(10-11-21-19(17)24)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,25)
InChIKeyPMYGRZOHSCYHIR-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.66
Rot. Bonds4

About N-(3-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 46435372) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID46435372
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-(3-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)c1
InChIInChI=1S/C20H16N4O2/c1-26-16-9-5-8-15(12-16)23-20(25)17-13-22-24-18(10-11-21-19(17)24)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,25)
InChIKeyPMYGRZOHSCYHIR-UHFFFAOYSA-N
XLogP3.66
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 46435372) is N-(3-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PMYGRZOHSCYHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-26-16-9-5-8-15(12-16)23-20(25)17-13-22-24-18(10-11-21-19(17)24)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,25).
What are the key properties of N-(3-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46435372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).