2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C25H26N4O — CID 7493376

IUPAC2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nn2c(C(C)C)c(C(=O)N[C@H](C)c3ccccc3)cnc2c1-c1ccccc1
InChIInChI=1S/C25H26N4O/c1-16(2)23-21(25(30)27-17(3)19-11-7-5-8-12-19)15-26-24-22(18(4)28-29(23)24)20-13-9-6-10-14-20/h5-17H,1-4H3,(H,27,30)/t17-/m1/s1
InChIKeyLLUXZUSWKFBRPR-QGZVFWFLSA-N
MW398.51 g/mol
LogP5.32
Rot. Bonds5

About 2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 7493376) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID7493376
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nn2c(C(C)C)c(C(=O)N[C@H](C)c3ccccc3)cnc2c1-c1ccccc1
InChIInChI=1S/C25H26N4O/c1-16(2)23-21(25(30)27-17(3)19-11-7-5-8-12-19)15-26-24-22(18(4)28-29(23)24)20-13-9-6-10-14-20/h5-17H,1-4H3,(H,27,30)/t17-/m1/s1
InChIKeyLLUXZUSWKFBRPR-QGZVFWFLSA-N
XLogP5.32
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-ethyl-2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7356314
3-(2,6-difluorophenyl)-2-methyl-N-[(1S)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 162773853
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 4984521
2-tert-butyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7327903
N-[(2R)-5-(diethylamino)pentan-2-yl]-7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7238720
2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 6946048
N-[5-(diethylamino)pentan-2-yl]-7-(methoxymethyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4562038
4-chloro-3-methyl-1-phenyl-N-(1-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43996622
5-amino-2-methyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 93467775
ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 654938
5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 92750093
N-(3,4-dimethylphenyl)-7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5009049

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 7493376) is 2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1nn2c(C(C)C)c(C(=O)N[C@H](C)c3ccccc3)cnc2c1-c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is LLUXZUSWKFBRPR-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H26N4O/c1-16(2)23-21(25(30)27-17(3)19-11-7-5-8-12-19)15-26-24-22(18(4)28-29(23)24)20-13-9-6-10-14-20/h5-17H,1-4H3,(H,27,30)/t17-/m1/s1.
What are the key properties of 2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 7493376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).