N-(1,5-dimethylpyrazol-4-yl)-2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C24H23FN8O — CID 19589146

IUPACN-(1,5-dimethylpyrazol-4-yl)-2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)Nc2cnn(C)c2C)n2nc(-c3ccc(F)cc3)cc2n1
InChIInChI=1S/C24H23FN8O/c1-13-23(15(3)32(5)29-13)19-10-21(24(34)28-20-12-26-31(4)14(20)2)33-22(27-19)11-18(30-33)16-6-8-17(25)9-7-16/h6-12H,1-5H3,(H,28,34)
InChIKeyZERRQLKOTJXNBQ-UHFFFAOYSA-N
MW458.50 g/mol
LogP3.85
Rot. Bonds4

About N-(1,5-dimethylpyrazol-4-yl)-2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

N-(1,5-dimethylpyrazol-4-yl)-2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 19589146) has the molecular formula C24H23FN8O and a molecular weight of 458.50 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID19589146
Molecular FormulaC24H23FN8O
Molecular Weight458.50 g/mol
Exact Mass458.20
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)Nc2cnn(C)c2C)n2nc(-c3ccc(F)cc3)cc2n1
InChIInChI=1S/C24H23FN8O/c1-13-23(15(3)32(5)29-13)19-10-21(24(34)28-20-12-26-31(4)14(20)2)33-22(27-19)11-18(30-33)16-6-8-17(25)9-7-16/h6-12H,1-5H3,(H,28,34)
InChIKeyZERRQLKOTJXNBQ-UHFFFAOYSA-N
XLogP3.85
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880128
5-(4-fluorophenyl)-2-phenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93009070
N-(1,5-dimethylpyrazol-4-yl)-2,4,5-trimethylbenzamide
CID 134707317
N-(2,4-dimethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122304078
N-ethoxy-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877528
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122319694
2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080268
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 16809683
methyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 759675
N-(2,3-dimethylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879388
N-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122301993
N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 46971588

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 19589146) is N-(1,5-dimethylpyrazol-4-yl)-2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cnn(C)c2C)n2nc(-c3ccc(F)cc3)cc2n1.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is ZERRQLKOTJXNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN8O/c1-13-23(15(3)32(5)29-13)19-10-21(24(34)28-20-12-26-31(4)14(20)2)33-22(27-19)11-18(30-33)16-6-8-17(25)9-7-16/h6-12H,1-5H3,(H,28,34).
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-(1,5-dimethylpyrazol-4-yl)-2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 458.50 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 19589146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).