4-chloro-1-[(Z)-2-phenylethenyl]pyrazolo[5,4-d]pyrimidine

C13H9ClN4 — CID 142971941

IUPAC4-chloro-1-[(Z)-2-phenylethenyl]pyrazolo[5,4-d]pyrimidine
SMILESClc1ncnc2c1cnn2/C=C\c1ccccc1
InChIInChI=1S/C13H9ClN4/c14-12-11-8-17-18(13(11)16-9-15-12)7-6-10-4-2-1-3-5-10/h1-9H/b7-6-
InChIKeyMRVFAXBPYHLGCG-SREVYHEPSA-N
MW256.70 g/mol
LogP3.11
Rot. Bonds2

About 4-chloro-1-[(Z)-2-phenylethenyl]pyrazolo[5,4-d]pyrimidine

4-chloro-1-[(Z)-2-phenylethenyl]pyrazolo[5,4-d]pyrimidine (PubChem CID 142971941) has the molecular formula C13H9ClN4 and a molecular weight of 256.70 g/mol. Its IUPAC name is 4-chloro-1-[(Z)-2-phenylethenyl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-1-[(Z)-2-phenylethenyl]pyrazolo[5,4-d]pyrimidine
PubChem CID142971941
Molecular FormulaC13H9ClN4
Molecular Weight256.70 g/mol
Exact Mass256.05
IUPAC Name4-chloro-1-[(Z)-2-phenylethenyl]pyrazolo[5,4-d]pyrimidine
SMILESClc1ncnc2c1cnn2/C=C\c1ccccc1
InChIInChI=1S/C13H9ClN4/c14-12-11-8-17-18(13(11)16-9-15-12)7-6-10-4-2-1-3-5-10/h1-9H/b7-6-
InChIKeyMRVFAXBPYHLGCG-SREVYHEPSA-N
XLogP3.11
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-[(Z)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 11393275
N-cyclohexyl-1-[(E)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 11370613
1-bromo-4-chloropyrazolo[5,4-d]pyrimidine
CID 151218537
4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 42281587
4,5-dichloro-2-[(E)-2-phenylethenyl]pyridazin-3-one;ethane
CID 159945341
2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-N,N-dimethylaniline
CID 91324401
2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)quinoxaline
CID 125484213
4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 11207298
4-chloro-7-phenylpyrrolo[2,3-d]pyrimidine
CID 101367074
4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidine
CID 55172408
4-chloro-1-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
CID 43154809
tert-butyl 4-chloropyrazolo[5,4-d]pyrimidine-1-carboxylate
CID 87694706

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(Z)-2-phenylethenyl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-1-[(Z)-2-phenylethenyl]pyrazolo[5,4-d]pyrimidine (CID 142971941) is 4-chloro-1-[(Z)-2-phenylethenyl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-1-[(Z)-2-phenylethenyl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-1-[(Z)-2-phenylethenyl]pyrazolo[5,4-d]pyrimidine is Clc1ncnc2c1cnn2/C=C\c1ccccc1.
What is the InChIKey of 4-chloro-1-[(Z)-2-phenylethenyl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is MRVFAXBPYHLGCG-SREVYHEPSA-N. The full InChI is InChI=1S/C13H9ClN4/c14-12-11-8-17-18(13(11)16-9-15-12)7-6-10-4-2-1-3-5-10/h1-9H/b7-6-.
What are the key properties of 4-chloro-1-[(Z)-2-phenylethenyl]pyrazolo[5,4-d]pyrimidine?
4-chloro-1-[(Z)-2-phenylethenyl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 256.70 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(Z)-2-phenylethenyl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 142971941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).