N-(2-methoxyphenyl)-2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C22H20N4O2 — CID 3156105

IUPACN-(2-methoxyphenyl)-2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1C
InChIInChI=1S/C22H20N4O2/c1-14-20(16-9-5-4-6-10-16)21-23-13-17(15(2)26(21)25-14)22(27)24-18-11-7-8-12-19(18)28-3/h4-13H,1-3H3,(H,24,27)
InChIKeyPNAGZSHTFRFZGC-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.27
Rot. Bonds4

About N-(2-methoxyphenyl)-2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-(2-methoxyphenyl)-2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3156105) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3156105
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-(2-methoxyphenyl)-2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1C
InChIInChI=1S/C22H20N4O2/c1-14-20(16-9-5-4-6-10-16)21-23-13-17(15(2)26(21)25-14)22(27)24-18-11-7-8-12-19(18)28-3/h4-13H,1-3H3,(H,24,27)
InChIKeyPNAGZSHTFRFZGC-UHFFFAOYSA-N
XLogP4.27
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 3156105) is N-(2-methoxyphenyl)-2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccccc1NC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1C.
What is the InChIKey of N-(2-methoxyphenyl)-2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is PNAGZSHTFRFZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14-20(16-9-5-4-6-10-16)21-23-13-17(15(2)26(21)25-14)22(27)24-18-11-7-8-12-19(18)28-3/h4-13H,1-3H3,(H,24,27).
What are the key properties of N-(2-methoxyphenyl)-2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(2-methoxyphenyl)-2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3156105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).