N-benzyl-7-(difluoromethyl)-5-(4-methoxyphenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C28H22F2N4O2 — CID 4230006

IUPACN-benzyl-7-(difluoromethyl)-5-(4-methoxyphenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N(Cc4ccccc4)c4ccccc4)c3n2)cc1
InChIInChI=1S/C28H22F2N4O2/c1-36-22-14-12-20(13-15-22)24-16-25(26(29)30)34-27(32-24)23(17-31-34)28(35)33(21-10-6-3-7-11-21)18-19-8-4-2-5-9-19/h2-17,26H,18H2,1H3
InChIKeyRLDUYNOOTCRDQF-UHFFFAOYSA-N
MW484.51 g/mol
LogP6.19
Rot. Bonds7

About N-benzyl-7-(difluoromethyl)-5-(4-methoxyphenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-benzyl-7-(difluoromethyl)-5-(4-methoxyphenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4230006) has the molecular formula C28H22F2N4O2 and a molecular weight of 484.51 g/mol. Its IUPAC name is N-benzyl-7-(difluoromethyl)-5-(4-methoxyphenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-(difluoromethyl)-5-(4-methoxyphenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4230006
Molecular FormulaC28H22F2N4O2
Molecular Weight484.51 g/mol
Exact Mass484.17
IUPAC NameN-benzyl-7-(difluoromethyl)-5-(4-methoxyphenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N(Cc4ccccc4)c4ccccc4)c3n2)cc1
InChIInChI=1S/C28H22F2N4O2/c1-36-22-14-12-20(13-15-22)24-16-25(26(29)30)34-27(32-24)23(17-31-34)28(35)33(21-10-6-3-7-11-21)18-19-8-4-2-5-9-19/h2-17,26H,18H2,1H3
InChIKeyRLDUYNOOTCRDQF-UHFFFAOYSA-N
XLogP6.19
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.51
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(difluoromethyl)-5-(4-methoxyphenyl)-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17382177
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995539
N-(1-benzyl-1,2,4-triazol-3-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17021852
7-(difluoromethyl)-N-methyl-N,5-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2056140
N-benzyl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3553852
[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 20980008
7-(difluoromethyl)-5-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5074183
7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1094056
7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995519
7-(difluoromethyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969823
7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 7020409
ethyl 7-(difluoromethyl)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 4773420

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-(difluoromethyl)-5-(4-methoxyphenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-benzyl-7-(difluoromethyl)-5-(4-methoxyphenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4230006) is N-benzyl-7-(difluoromethyl)-5-(4-methoxyphenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-benzyl-7-(difluoromethyl)-5-(4-methoxyphenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-benzyl-7-(difluoromethyl)-5-(4-methoxyphenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N(Cc4ccccc4)c4ccccc4)c3n2)cc1.
What is the InChIKey of N-benzyl-7-(difluoromethyl)-5-(4-methoxyphenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RLDUYNOOTCRDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F2N4O2/c1-36-22-14-12-20(13-15-22)24-16-25(26(29)30)34-27(32-24)23(17-31-34)28(35)33(21-10-6-3-7-11-21)18-19-8-4-2-5-9-19/h2-17,26H,18H2,1H3.
What are the key properties of N-benzyl-7-(difluoromethyl)-5-(4-methoxyphenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-benzyl-7-(difluoromethyl)-5-(4-methoxyphenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 484.51 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-(difluoromethyl)-5-(4-methoxyphenyl)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4230006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).