N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H19N7O — CID 90275572

IUPACN-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cn3)n2)cc1
InChIInChI=1S/C23H19N7O/c1-15-4-7-17(8-5-15)19-12-21(30(28-19)20-9-6-16(2)13-25-20)27-23(31)18-14-26-29-11-3-10-24-22(18)29/h3-14H,1-2H3,(H,27,31)
InChIKeyIKOMUUXIFVFYJR-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.85
Rot. Bonds4

About N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90275572) has the molecular formula C23H19N7O and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90275572
Molecular FormulaC23H19N7O
Molecular Weight409.45 g/mol
Exact Mass409.17
IUPAC NameN-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cn3)n2)cc1
InChIInChI=1S/C23H19N7O/c1-15-4-7-17(8-5-15)19-12-21(30(28-19)20-9-6-16(2)13-25-20)27-23(31)18-14-26-29-11-3-10-24-22(18)29/h3-14H,1-2H3,(H,27,31)
InChIKeyIKOMUUXIFVFYJR-UHFFFAOYSA-N
XLogP3.85
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90275572) is N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cn3)n2)cc1.
What is the InChIKey of N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IKOMUUXIFVFYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O/c1-15-4-7-17(8-5-15)19-12-21(30(28-19)20-9-6-16(2)13-25-20)27-23(31)18-14-26-29-11-3-10-24-22(18)29/h3-14H,1-2H3,(H,27,31).
What are the key properties of N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenyl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90275572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).