7-chloro-5-(2-ethoxyphenyl)-1-methyl-3-propyl-2,3-dihydropyrazolo[4,3-d]pyrimidine

C17H21ClN4O — CID 91476623

IUPAC7-chloro-5-(2-ethoxyphenyl)-1-methyl-3-propyl-2,3-dihydropyrazolo[4,3-d]pyrimidine
SMILESCCCC1NN(C)c2c(Cl)nc(-c3ccccc3OCC)nc21
InChIInChI=1S/C17H21ClN4O/c1-4-8-12-14-15(22(3)21-12)16(18)20-17(19-14)11-9-6-7-10-13(11)23-5-2/h6-7,9-10,12,21H,4-5,8H2,1-3H3
InChIKeyOLTMOURUNDIGLA-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.99
Rot. Bonds5

About 7-chloro-5-(2-ethoxyphenyl)-1-methyl-3-propyl-2,3-dihydropyrazolo[4,3-d]pyrimidine

7-chloro-5-(2-ethoxyphenyl)-1-methyl-3-propyl-2,3-dihydropyrazolo[4,3-d]pyrimidine (PubChem CID 91476623) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 7-chloro-5-(2-ethoxyphenyl)-1-methyl-3-propyl-2,3-dihydropyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-(2-ethoxyphenyl)-1-methyl-3-propyl-2,3-dihydropyrazolo[4,3-d]pyrimidine
PubChem CID91476623
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name7-chloro-5-(2-ethoxyphenyl)-1-methyl-3-propyl-2,3-dihydropyrazolo[4,3-d]pyrimidine
SMILESCCCC1NN(C)c2c(Cl)nc(-c3ccccc3OCC)nc21
InChIInChI=1S/C17H21ClN4O/c1-4-8-12-14-15(22(3)21-12)16(18)20-17(19-14)11-9-6-7-10-13(11)23-5-2/h6-7,9-10,12,21H,4-5,8H2,1-3H3
InChIKeyOLTMOURUNDIGLA-UHFFFAOYSA-N
XLogP3.99
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine
CID 66311864
4-chloro-2-(2-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 115532938
6-cyclopropyl-2-(2-ethoxyphenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66312008
4-chloro-2-(2-ethoxyphenyl)-6-propan-2-ylpyrimidine
CID 43557749
4-(2-ethoxyphenyl)-1,3,5-triazin-2-amine
CID 115534558
3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole
CID 61277730
4-(2-ethoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 78909366
2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 62202263
3-(2-ethoxyphenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 3950226
2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 82169072
5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66296687
4-(2-ethoxyphenyl)pyridine
CID 23466193

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-ethoxyphenyl)-1-methyl-3-propyl-2,3-dihydropyrazolo[4,3-d]pyrimidine?
The IUPAC name of 7-chloro-5-(2-ethoxyphenyl)-1-methyl-3-propyl-2,3-dihydropyrazolo[4,3-d]pyrimidine (CID 91476623) is 7-chloro-5-(2-ethoxyphenyl)-1-methyl-3-propyl-2,3-dihydropyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 7-chloro-5-(2-ethoxyphenyl)-1-methyl-3-propyl-2,3-dihydropyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 7-chloro-5-(2-ethoxyphenyl)-1-methyl-3-propyl-2,3-dihydropyrazolo[4,3-d]pyrimidine is CCCC1NN(C)c2c(Cl)nc(-c3ccccc3OCC)nc21.
What is the InChIKey of 7-chloro-5-(2-ethoxyphenyl)-1-methyl-3-propyl-2,3-dihydropyrazolo[4,3-d]pyrimidine?
The InChIKey is OLTMOURUNDIGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-4-8-12-14-15(22(3)21-12)16(18)20-17(19-14)11-9-6-7-10-13(11)23-5-2/h6-7,9-10,12,21H,4-5,8H2,1-3H3.
What are the key properties of 7-chloro-5-(2-ethoxyphenyl)-1-methyl-3-propyl-2,3-dihydropyrazolo[4,3-d]pyrimidine?
7-chloro-5-(2-ethoxyphenyl)-1-methyl-3-propyl-2,3-dihydropyrazolo[4,3-d]pyrimidine has a molecular weight of 332.84 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-ethoxyphenyl)-1-methyl-3-propyl-2,3-dihydropyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 91476623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).