2-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H25N7O2 — CID 25146880

IUPAC2-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2nc(Nc3ccccc3)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2n1
InChIInChI=1S/C26H25N7O2/c1-16-15-17(2)32-24(27-16)21(23(30-32)28-19-11-7-5-8-12-19)25(34)29-22-18(3)31(4)33(26(22)35)20-13-9-6-10-14-20/h5-15H,1-4H3,(H,28,30)(H,29,34)
InChIKeyYCMBPNPBVKTZBA-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.14
Rot. Bonds5

About 2-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

2-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 25146880) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID25146880
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name2-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2nc(Nc3ccccc3)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2n1
InChIInChI=1S/C26H25N7O2/c1-16-15-17(2)32-24(27-16)21(23(30-32)28-19-11-7-5-8-12-19)25(34)29-22-18(3)31(4)33(26(22)35)20-13-9-6-10-14-20/h5-15H,1-4H3,(H,28,30)(H,29,34)
InChIKeyYCMBPNPBVKTZBA-UHFFFAOYSA-N
XLogP4.14
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 25146880) is 2-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2nc(Nc3ccccc3)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2n1.
What is the InChIKey of 2-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YCMBPNPBVKTZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-16-15-17(2)32-24(27-16)21(23(30-32)28-19-11-7-5-8-12-19)25(34)29-22-18(3)31(4)33(26(22)35)20-13-9-6-10-14-20/h5-15H,1-4H3,(H,28,30)(H,29,34).
What are the key properties of 2-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 25146880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).