N-(4-butan-2-ylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H20F2N4O — CID 2946351

IUPACN-(4-butan-2-ylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1
InChIInChI=1S/C19H20F2N4O/c1-4-11(2)13-5-7-14(8-6-13)24-19(26)15-10-22-25-16(17(20)21)9-12(3)23-18(15)25/h5-11,17H,4H2,1-3H3,(H,24,26)
InChIKeyABJOULSMPYSQCA-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.74
Rot. Bonds5

About N-(4-butan-2-ylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4-butan-2-ylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2946351) has the molecular formula C19H20F2N4O and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2946351
Molecular FormulaC19H20F2N4O
Molecular Weight358.39 g/mol
Exact Mass358.16
IUPAC NameN-(4-butan-2-ylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1
InChIInChI=1S/C19H20F2N4O/c1-4-11(2)13-5-7-14(8-6-13)24-19(26)15-10-22-25-16(17(20)21)9-12(3)23-18(15)25/h5-11,17H,4H2,1-3H3,(H,24,26)
InChIKeyABJOULSMPYSQCA-UHFFFAOYSA-N
XLogP4.74
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2946351) is N-(4-butan-2-ylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCC(C)c1ccc(NC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ABJOULSMPYSQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O/c1-4-11(2)13-5-7-14(8-6-13)24-19(26)15-10-22-25-16(17(20)21)9-12(3)23-18(15)25/h5-11,17H,4H2,1-3H3,(H,24,26).
What are the key properties of N-(4-butan-2-ylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-butan-2-ylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2946351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).