7-(difluoromethyl)-N-methyl-5-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H22F2N6O — CID 995414

IUPAC7-(difluoromethyl)-N-methyl-5-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C22H22F2N6O/c1-13-17(14(2)29(4)27-13)12-28(3)22(31)16-11-25-30-19(20(23)24)10-18(26-21(16)30)15-8-6-5-7-9-15/h5-11,20H,12H2,1-4H3
InChIKeyLMBLGFDIFWDELY-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.96
Rot. Bonds5

About 7-(difluoromethyl)-N-methyl-5-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-methyl-5-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 995414) has the molecular formula C22H22F2N6O and a molecular weight of 424.46 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-methyl-5-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-methyl-5-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID995414
Molecular FormulaC22H22F2N6O
Molecular Weight424.46 g/mol
Exact Mass424.18
IUPAC Name7-(difluoromethyl)-N-methyl-5-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C22H22F2N6O/c1-13-17(14(2)29(4)27-13)12-28(3)22(31)16-11-25-30-19(20(23)24)10-18(26-21(16)30)15-8-6-5-7-9-15/h5-11,20H,12H2,1-4H3
InChIKeyLMBLGFDIFWDELY-UHFFFAOYSA-N
XLogP3.96
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-methyl-5-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-methyl-5-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 995414) is 7-(difluoromethyl)-N-methyl-5-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-methyl-5-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-methyl-5-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn(C)c(C)c1CN(C)C(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12.
What is the InChIKey of 7-(difluoromethyl)-N-methyl-5-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LMBLGFDIFWDELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O/c1-13-17(14(2)29(4)27-13)12-28(3)22(31)16-11-25-30-19(20(23)24)10-18(26-21(16)30)15-8-6-5-7-9-15/h5-11,20H,12H2,1-4H3.
What are the key properties of 7-(difluoromethyl)-N-methyl-5-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-methyl-5-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-methyl-5-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 995414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).