7-(difluoromethyl)-N-(1-methoxypropan-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H18F2N4O2 — CID 2945149

IUPAC7-(difluoromethyl)-N-(1-methoxypropan-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCC(C)NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C18H18F2N4O2/c1-11(10-26-2)22-18(25)13-9-21-24-15(16(19)20)8-14(23-17(13)24)12-6-4-3-5-7-12/h3-9,11,16H,10H2,1-2H3,(H,22,25)
InChIKeyGROMNQNUEVMPEL-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.10
Rot. Bonds6

About 7-(difluoromethyl)-N-(1-methoxypropan-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-(1-methoxypropan-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2945149) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-(1-methoxypropan-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-(1-methoxypropan-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2945149
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC Name7-(difluoromethyl)-N-(1-methoxypropan-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCC(C)NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C18H18F2N4O2/c1-11(10-26-2)22-18(25)13-9-21-24-15(16(19)20)8-14(23-17(13)24)12-6-4-3-5-7-12/h3-9,11,16H,10H2,1-2H3,(H,22,25)
InChIKeyGROMNQNUEVMPEL-UHFFFAOYSA-N
XLogP3.10
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-(1-methoxypropan-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-(1-methoxypropan-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2945149) is 7-(difluoromethyl)-N-(1-methoxypropan-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-(1-methoxypropan-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-(1-methoxypropan-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COCC(C)NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12.
What is the InChIKey of 7-(difluoromethyl)-N-(1-methoxypropan-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GROMNQNUEVMPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c1-11(10-26-2)22-18(25)13-9-21-24-15(16(19)20)8-14(23-17(13)24)12-6-4-3-5-7-12/h3-9,11,16H,10H2,1-2H3,(H,22,25).
What are the key properties of 7-(difluoromethyl)-N-(1-methoxypropan-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-(1-methoxypropan-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-(1-methoxypropan-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2945149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).