2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-(1-ethyl-4-methylimidazol-2-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

C25H28ClN7O — CID 162378735

IUPAC2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-(1-ethyl-4-methylimidazol-2-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCCn1cc(C)nc1-c1ccc(CN2C(=O)CCn3nc(-c4c(Cl)cnn4C(C)C)cc32)cc1
InChIInChI=1S/C25H28ClN7O/c1-5-30-14-17(4)28-25(30)19-8-6-18(7-9-19)15-31-22-12-21(29-32(22)11-10-23(31)34)24-20(26)13-27-33(24)16(2)3/h6-9,12-14,16H,5,10-11,15H2,1-4H3
InChIKeyDUFWBBBXDFAAKD-UHFFFAOYSA-N
MW478.00 g/mol
LogP5.11
Rot. Bonds6

About 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-(1-ethyl-4-methylimidazol-2-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one

2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-(1-ethyl-4-methylimidazol-2-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 162378735) has the molecular formula C25H28ClN7O and a molecular weight of 478.00 g/mol. Its IUPAC name is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-(1-ethyl-4-methylimidazol-2-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-(1-ethyl-4-methylimidazol-2-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
PubChem CID162378735
Molecular FormulaC25H28ClN7O
Molecular Weight478.00 g/mol
Exact Mass477.20
IUPAC Name2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-(1-ethyl-4-methylimidazol-2-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
SMILESCCn1cc(C)nc1-c1ccc(CN2C(=O)CCn3nc(-c4c(Cl)cnn4C(C)C)cc32)cc1
InChIInChI=1S/C25H28ClN7O/c1-5-30-14-17(4)28-25(30)19-8-6-18(7-9-19)15-31-22-12-21(29-32(22)11-10-23(31)34)24-20(26)13-27-33(24)16(2)3/h6-9,12-14,16H,5,10-11,15H2,1-4H3
InChIKeyDUFWBBBXDFAAKD-UHFFFAOYSA-N
XLogP5.11
TPSA73.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.00
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-(1-ethyl-4-methylimidazol-2-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one with MolForge

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Related Compounds

2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378231
3-[4-[[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]phenyl]-1-methylpyrazole-4-carbonitrile
CID 162378328
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[6-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378373
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6-hydroxy-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378850
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 168841744
(4S)-2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 162378906
1-[3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1H-pyrazol-5-yl]-2-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanone
CID 162378667
2-bromo-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378754
4-[[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(3-methylbutyl)benzamide
CID 53049943
4-[[2-(2-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]benzoic acid
CID 53213062
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[3-(2,2-difluoroethoxy)-2-pyridinyl]phenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 162378830
2-(4-cyclopropyl-6-ethylpyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]-3-fluorophenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 168841767

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-(1-ethyl-4-methylimidazol-2-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-(1-ethyl-4-methylimidazol-2-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one (CID 162378735) is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-(1-ethyl-4-methylimidazol-2-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-(1-ethyl-4-methylimidazol-2-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-(1-ethyl-4-methylimidazol-2-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is CCn1cc(C)nc1-c1ccc(CN2C(=O)CCn3nc(-c4c(Cl)cnn4C(C)C)cc32)cc1.
What is the InChIKey of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-(1-ethyl-4-methylimidazol-2-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is DUFWBBBXDFAAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN7O/c1-5-30-14-17(4)28-25(30)19-8-6-18(7-9-19)15-31-22-12-21(29-32(22)11-10-23(31)34)24-20(26)13-27-33(24)16(2)3/h6-9,12-14,16H,5,10-11,15H2,1-4H3.
What are the key properties of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-(1-ethyl-4-methylimidazol-2-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one?
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-(1-ethyl-4-methylimidazol-2-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 478.00 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-(1-ethyl-4-methylimidazol-2-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 162378735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).