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

C22H17N7O — CID 66555955

IUPACN-[1-(4-methylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(-c3cccnc3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C22H17N7O/c1-15-5-7-17(8-6-15)29-20(12-19(27-29)16-4-2-9-23-13-16)26-22(30)18-14-25-28-11-3-10-24-21(18)28/h2-14H,1H3,(H,26,30)
InChIKeyYAOODHZEPCOZQX-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.54
Rot. Bonds4

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

N-[1-(4-methylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66555955) has the molecular formula C22H17N7O and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66555955
Molecular FormulaC22H17N7O
Molecular Weight395.43 g/mol
Exact Mass395.15
IUPAC NameN-[1-(4-methylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-n2nc(-c3cccnc3)cc2NC(=O)c2cnn3cccnc23)cc1
InChIInChI=1S/C22H17N7O/c1-15-5-7-17(8-6-15)29-20(12-19(27-29)16-4-2-9-23-13-16)26-22(30)18-14-25-28-11-3-10-24-21(18)28/h2-14H,1H3,(H,26,30)
InChIKeyYAOODHZEPCOZQX-UHFFFAOYSA-N
XLogP3.54
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66555955) is N-[1-(4-methylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-n2nc(-c3cccnc3)cc2NC(=O)c2cnn3cccnc23)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YAOODHZEPCOZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7O/c1-15-5-7-17(8-6-15)29-20(12-19(27-29)16-4-2-9-23-13-16)26-22(30)18-14-25-28-11-3-10-24-21(18)28/h2-14H,1H3,(H,26,30).
What are the key properties of N-[1-(4-methylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(4-methylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66555955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).