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

C20H23Cl2N5O — CID 91288637

IUPAC[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCC1=Nc2ccnn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)N1CC[C@@H](N(C)C)C1
InChIInChI=1S/C20H23Cl2N5O/c1-12-18(20(28)26-9-7-14(11-26)25(2)3)19(27-17(24-12)6-8-23-27)13-4-5-15(21)16(22)10-13/h4-6,8,10,14,18-19H,7,9,11H2,1-3H3/t14-,18?,19?/m1/s1
InChIKeyHNZRDFUOCJNQGD-FTXHTYHOSA-N
MW420.34 g/mol
LogP3.66
Rot. Bonds3

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

[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 91288637) has the molecular formula C20H23Cl2N5O and a molecular weight of 420.34 g/mol. Its IUPAC name is [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID91288637
Molecular FormulaC20H23Cl2N5O
Molecular Weight420.34 g/mol
Exact Mass419.13
IUPAC Name[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCC1=Nc2ccnn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)N1CC[C@@H](N(C)C)C1
InChIInChI=1S/C20H23Cl2N5O/c1-12-18(20(28)26-9-7-14(11-26)25(2)3)19(27-17(24-12)6-8-23-27)13-4-5-15(21)16(22)10-13/h4-6,8,10,14,18-19H,7,9,11H2,1-3H3/t14-,18?,19?/m1/s1
InChIKeyHNZRDFUOCJNQGD-FTXHTYHOSA-N
XLogP3.66
TPSA53.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 91288637) is [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone is CC1=Nc2ccnn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)N1CC[C@@H](N(C)C)C1.
What is the InChIKey of [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is HNZRDFUOCJNQGD-FTXHTYHOSA-N. The full InChI is InChI=1S/C20H23Cl2N5O/c1-12-18(20(28)26-9-7-14(11-26)25(2)3)19(27-17(24-12)6-8-23-27)13-4-5-15(21)16(22)10-13/h4-6,8,10,14,18-19H,7,9,11H2,1-3H3/t14-,18?,19?/m1/s1.
What are the key properties of [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone?
[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 420.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91288637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).