4-[1-(5-chloro-2-ethylphenyl)pyrrol-3-yl]-1H-pyrazolo[3,4-d]pyrimidine

C17H14ClN5 — CID 141389055

IUPAC4-[1-(5-chloro-2-ethylphenyl)pyrrol-3-yl]-1H-pyrazolo[3,4-d]pyrimidine
SMILESCCc1ccc(Cl)cc1-n1ccc(-c2ncnc3[nH]ncc23)c1
InChIInChI=1S/C17H14ClN5/c1-2-11-3-4-13(18)7-15(11)23-6-5-12(9-23)16-14-8-21-22-17(14)20-10-19-16/h3-10H,2H2,1H3,(H,19,20,21,22)
InChIKeyBDOYEHVBDLCBEA-UHFFFAOYSA-N
MW323.79 g/mol
LogP4.03
Rot. Bonds3

About 4-[1-(5-chloro-2-ethylphenyl)pyrrol-3-yl]-1H-pyrazolo[3,4-d]pyrimidine

4-[1-(5-chloro-2-ethylphenyl)pyrrol-3-yl]-1H-pyrazolo[3,4-d]pyrimidine (PubChem CID 141389055) has the molecular formula C17H14ClN5 and a molecular weight of 323.79 g/mol. Its IUPAC name is 4-[1-(5-chloro-2-ethylphenyl)pyrrol-3-yl]-1H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[1-(5-chloro-2-ethylphenyl)pyrrol-3-yl]-1H-pyrazolo[3,4-d]pyrimidine
PubChem CID141389055
Molecular FormulaC17H14ClN5
Molecular Weight323.79 g/mol
Exact Mass323.09
IUPAC Name4-[1-(5-chloro-2-ethylphenyl)pyrrol-3-yl]-1H-pyrazolo[3,4-d]pyrimidine
SMILESCCc1ccc(Cl)cc1-n1ccc(-c2ncnc3[nH]ncc23)c1
InChIInChI=1S/C17H14ClN5/c1-2-11-3-4-13(18)7-15(11)23-6-5-12(9-23)16-14-8-21-22-17(14)20-10-19-16/h3-10H,2H2,1H3,(H,19,20,21,22)
InChIKeyBDOYEHVBDLCBEA-UHFFFAOYSA-N
XLogP4.03
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-ethylphenyl)-4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrole-2-carbonitrile
CID 118129263
1-(5-chloro-2-methylphenyl)-4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrole-2-carbonitrile
CID 118129291
2-(5-chloro-2-ethylphenyl)-5-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1H-pyrrole-3-carboxamide
CID 118129250
1-(5-chloro-2-ethylphenyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-3-carbonitrile
CID 142767697
1-(4-chloro-2-ethylphenyl)-4-methylimidazole
CID 146396670
4-chloro-3-propyl-2H-pyrazolo[3,4-d]pyrimidine;4-chloro-1H-pyrazolo[5,4-d]pyrimidine
CID 141249395
N-[(4-fluorophenyl)methyl]-N-methyl-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine
CID 137366863
2-[2-ethyl-5-(trifluoromethyl)phenyl]-5-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1H-pyrrole-3-carboxamide
CID 118129392
3-(2,4-dichlorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 115680816
ethane;4-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 143782754
1-[(2,4-dichlorophenyl)methyl]-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-2H-quinolin-3-amine
CID 46834684
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133431087

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chloro-2-ethylphenyl)pyrrol-3-yl]-1H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-[1-(5-chloro-2-ethylphenyl)pyrrol-3-yl]-1H-pyrazolo[3,4-d]pyrimidine (CID 141389055) is 4-[1-(5-chloro-2-ethylphenyl)pyrrol-3-yl]-1H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-[1-(5-chloro-2-ethylphenyl)pyrrol-3-yl]-1H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-[1-(5-chloro-2-ethylphenyl)pyrrol-3-yl]-1H-pyrazolo[3,4-d]pyrimidine is CCc1ccc(Cl)cc1-n1ccc(-c2ncnc3[nH]ncc23)c1.
What is the InChIKey of 4-[1-(5-chloro-2-ethylphenyl)pyrrol-3-yl]-1H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is BDOYEHVBDLCBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5/c1-2-11-3-4-13(18)7-15(11)23-6-5-12(9-23)16-14-8-21-22-17(14)20-10-19-16/h3-10H,2H2,1H3,(H,19,20,21,22).
What are the key properties of 4-[1-(5-chloro-2-ethylphenyl)pyrrol-3-yl]-1H-pyrazolo[3,4-d]pyrimidine?
4-[1-(5-chloro-2-ethylphenyl)pyrrol-3-yl]-1H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 323.79 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chloro-2-ethylphenyl)pyrrol-3-yl]-1H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 141389055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).