N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H20N6O2 — CID 66555956

IUPACN-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H20N6O2/c1-16-4-8-18(9-5-16)30-22(14-21(28-30)17-6-10-19(32-2)11-7-17)27-24(31)20-15-26-29-13-3-12-25-23(20)29/h3-15H,1-2H3,(H,27,31)
InChIKeyDHRFTZUWHODEQA-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.15
Rot. Bonds5

About N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66555956) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66555956
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC NameN-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H20N6O2/c1-16-4-8-18(9-5-16)30-22(14-21(28-30)17-6-10-19(32-2)11-7-17)27-24(31)20-15-26-29-13-3-12-25-23(20)29/h3-15H,1-2H3,(H,27,31)
InChIKeyDHRFTZUWHODEQA-UHFFFAOYSA-N
XLogP4.15
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66555956) is N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(-c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DHRFTZUWHODEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2/c1-16-4-8-18(9-5-16)30-22(14-21(28-30)17-6-10-19(32-2)11-7-17)27-24(31)20-15-26-29-13-3-12-25-23(20)29/h3-15H,1-2H3,(H,27,31).
What are the key properties of N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66555956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).