2-(1-ethylpyrazol-4-yl)-7H-purine

C10H10N6 — CID 150929299

IUPAC2-(1-ethylpyrazol-4-yl)-7H-purine
SMILESCCn1cc(-c2ncc3[nH]cnc3n2)cn1
InChIInChI=1S/C10H10N6/c1-2-16-5-7(3-14-16)9-11-4-8-10(15-9)13-6-12-8/h3-6H,2H2,1H3,(H,11,12,13,15)
InChIKeyLFRINKKWWQPLKW-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.24
Rot. Bonds2

About 2-(1-ethylpyrazol-4-yl)-7H-purine

2-(1-ethylpyrazol-4-yl)-7H-purine (PubChem CID 150929299) has the molecular formula C10H10N6 and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-7H-purine.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-7H-purine
PubChem CID150929299
Molecular FormulaC10H10N6
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name2-(1-ethylpyrazol-4-yl)-7H-purine
SMILESCCn1cc(-c2ncc3[nH]cnc3n2)cn1
InChIInChI=1S/C10H10N6/c1-2-16-5-7(3-14-16)9-11-4-8-10(15-9)13-6-12-8/h3-6H,2H2,1H3,(H,11,12,13,15)
InChIKeyLFRINKKWWQPLKW-UHFFFAOYSA-N
XLogP1.24
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine
CID 103570563
2-ethylselanyl-7H-purine
CID 87266635
2-(1-ethylpyrazol-4-yl)-N-methylpyrimidin-4-amine
CID 103570484
1-ethyl-4-(1H-imidazol-5-yl)pyrazole;hydrochloride
CID 67500295
2-(1-ethylpyrazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 103570351
2-(1-ethylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 103570486
2-propyl-7H-purine;hydrochloride
CID 18353371
N,N-diethyl-7H-purin-2-amine
CID 22916630
4-(1-ethylpyrazol-4-yl)-2,6-dimethylpyridine
CID 121279540
4-chloro-6-(chloromethyl)-2-(1-ethylpyrazol-4-yl)pyrimidine
CID 95732740
3-(1-ethylpyrazol-4-yl)-1H-pyrazin-2-one
CID 103571127
2-(furan-2-yl)-7H-purine
CID 69436374

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-7H-purine?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-7H-purine (CID 150929299) is 2-(1-ethylpyrazol-4-yl)-7H-purine.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-7H-purine?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-7H-purine is CCn1cc(-c2ncc3[nH]cnc3n2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-7H-purine?
The InChIKey is LFRINKKWWQPLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6/c1-2-16-5-7(3-14-16)9-11-4-8-10(15-9)13-6-12-8/h3-6H,2H2,1H3,(H,11,12,13,15).
What are the key properties of 2-(1-ethylpyrazol-4-yl)-7H-purine?
2-(1-ethylpyrazol-4-yl)-7H-purine has a molecular weight of 214.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-7H-purine is sourced from PubChem (CID 150929299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).