[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone

C25H24Cl2N4O2 — CID 135843691

IUPAC[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1C1CCCN1C(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H24Cl2N4O2/c1-15-23(25(32)30-13-5-7-20(30)17-6-3-4-8-21(17)33-2)24(31-22(29-15)11-12-28-31)16-9-10-18(26)19(27)14-16/h3-4,6,8-12,14,20,24,29H,5,7,13H2,1-2H3
InChIKeyGKYYVCXKFGTYQP-UHFFFAOYSA-N
MW483.40 g/mol
LogP5.85
Rot. Bonds4

About [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone

[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 135843691) has the molecular formula C25H24Cl2N4O2 and a molecular weight of 483.40 g/mol. Its IUPAC name is [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID135843691
Molecular FormulaC25H24Cl2N4O2
Molecular Weight483.40 g/mol
Exact Mass482.13
IUPAC Name[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1C1CCCN1C(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H24Cl2N4O2/c1-15-23(25(32)30-13-5-7-20(30)17-6-3-4-8-21(17)33-2)24(31-22(29-15)11-12-28-31)16-9-10-18(26)19(27)14-16/h3-4,6,8-12,14,20,24,29H,5,7,13H2,1-2H3
InChIKeyGKYYVCXKFGTYQP-UHFFFAOYSA-N
XLogP5.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.40
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[7-(3,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-phenylpyrrolidin-1-yl)methanone
CID 135843840
2-chloro-N-{1-[1-(2-methoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide
CID 24817384
7-(3-Chlorophenyl)-N6-(4-methoxyphenyl)-5-methyl-N3-(4-methylphenyl)-4H,7H-pyrazolo[1,5-A]pyrimidine-3,6-dicarboxamide
CID 135410432
2-Butyl-5-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-1,3,4-oxadiazole
CID 135843720
2-[7-(3,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-5-phenyl-1,3,4-oxadiazole
CID 135843730
N-[2-(1-o-anisyl-4-piperidyl)pyrazol-3-yl]-4-phenyl-butyramide
CID 24790576
N-{1-[1-(2-methoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-phenylpropanamide
CID 24790155
N-(2-(5-benzyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-5-chloro-2-methoxybenzamide
CID 41231814
N-{1-[1-(4-chloro-3-fluorobenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 26407145
(7S)-7-(4-chlorophenyl)-6-N-(4-methoxyphenyl)-5-methyl-3-N-(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136680085
[7-(3,4-Dichlorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 90692309
[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]methanone
CID 90920538

Frequently Asked Questions

What is the IUPAC name of [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 135843691) is [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccccc1C1CCCN1C(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is GKYYVCXKFGTYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O2/c1-15-23(25(32)30-13-5-7-20(30)17-6-3-4-8-21(17)33-2)24(31-22(29-15)11-12-28-31)16-9-10-18(26)19(27)14-16/h3-4,6,8-12,14,20,24,29H,5,7,13H2,1-2H3.
What are the key properties of [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone?
[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 483.40 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 135843691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).