7-(difluoromethyl)-N-methyl-N,5-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H16F2N4O — CID 2056140

IUPAC7-(difluoromethyl)-N-methyl-N,5-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)c1ccccc1
InChIInChI=1S/C21H16F2N4O/c1-26(15-10-6-3-7-11-15)21(28)16-13-24-27-18(19(22)23)12-17(25-20(16)27)14-8-4-2-5-9-14/h2-13,19H,1H3
InChIKeyQEJXATUAZKKSSH-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.61
Rot. Bonds4

About 7-(difluoromethyl)-N-methyl-N,5-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-methyl-N,5-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2056140) has the molecular formula C21H16F2N4O and a molecular weight of 378.38 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-methyl-N,5-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-methyl-N,5-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2056140
Molecular FormulaC21H16F2N4O
Molecular Weight378.38 g/mol
Exact Mass378.13
IUPAC Name7-(difluoromethyl)-N-methyl-N,5-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)c1ccccc1
InChIInChI=1S/C21H16F2N4O/c1-26(15-10-6-3-7-11-15)21(28)16-13-24-27-18(19(22)23)12-17(25-20(16)27)14-8-4-2-5-9-14/h2-13,19H,1H3
InChIKeyQEJXATUAZKKSSH-UHFFFAOYSA-N
XLogP4.61
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 7020409
7-(difluoromethyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969823
7-(difluoromethyl)-N-(3-methylbutyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3596557
N-benzyl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3553852
N-benzyl-7-(difluoromethyl)-5-(4-methoxyphenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4230006
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-7-(difluoromethyl)-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19458612
N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4071577
7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5074183
7-(difluoromethyl)-N-(3-hydroxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447322
7-(difluoromethyl)-N-(5-fluoro-2-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995343
N-[2-(difluoromethoxy)phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447241
[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 3158188

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-methyl-N,5-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-methyl-N,5-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2056140) is 7-(difluoromethyl)-N-methyl-N,5-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-methyl-N,5-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-methyl-N,5-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)c1ccccc1.
What is the InChIKey of 7-(difluoromethyl)-N-methyl-N,5-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QEJXATUAZKKSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O/c1-26(15-10-6-3-7-11-15)21(28)16-13-24-27-18(19(22)23)12-17(25-20(16)27)14-8-4-2-5-9-14/h2-13,19H,1H3.
What are the key properties of 7-(difluoromethyl)-N-methyl-N,5-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-methyl-N,5-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-methyl-N,5-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2056140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).