7-(difluoromethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H20F2N6O — CID 3158191

IUPAC7-(difluoromethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1nc(C)c(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)c1C
InChIInChI=1S/C21H20F2N6O/c1-4-28-13(3)18(12(2)27-28)26-21(30)15-11-24-29-17(19(22)23)10-16(25-20(15)29)14-8-6-5-7-9-14/h5-11,19H,4H2,1-3H3,(H,26,30)
InChIKeySPFVRXDYEASFKG-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.42
Rot. Bonds5

About 7-(difluoromethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 3158191) has the molecular formula C21H20F2N6O and a molecular weight of 410.43 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID3158191
Molecular FormulaC21H20F2N6O
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Name7-(difluoromethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1nc(C)c(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)c1C
InChIInChI=1S/C21H20F2N6O/c1-4-28-13(3)18(12(2)27-28)26-21(30)15-11-24-29-17(19(22)23)10-16(25-20(15)29)14-8-6-5-7-9-14/h5-11,19H,4H2,1-3H3,(H,26,30)
InChIKeySPFVRXDYEASFKG-UHFFFAOYSA-N
XLogP4.42
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(difluoromethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 3158191) is 7-(difluoromethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1nc(C)c(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)c1C.
What is the InChIKey of 7-(difluoromethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SPFVRXDYEASFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N6O/c1-4-28-13(3)18(12(2)27-28)26-21(30)15-11-24-29-17(19(22)23)10-16(25-20(15)29)14-8-6-5-7-9-14/h5-11,19H,4H2,1-3H3,(H,26,30).
What are the key properties of 7-(difluoromethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3158191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).