ethane;2-(3-ethylpyrazol-1-yl)pyrimidine

C11H16N4 — CID 143443415

IUPACethane;2-(3-ethylpyrazol-1-yl)pyrimidine
SMILESCC.CCc1ccn(-c2ncccn2)n1
InChIInChI=1S/C9H10N4.C2H6/c1-2-8-4-7-13(12-8)9-10-5-3-6-11-9;1-2/h3-7H,2H2,1H3;1-2H3
InChIKeyIEIXOPHMPXKRKI-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.25
Rot. Bonds2

About ethane;2-(3-ethylpyrazol-1-yl)pyrimidine

ethane;2-(3-ethylpyrazol-1-yl)pyrimidine (PubChem CID 143443415) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is ethane;2-(3-ethylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Nameethane;2-(3-ethylpyrazol-1-yl)pyrimidine
PubChem CID143443415
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Nameethane;2-(3-ethylpyrazol-1-yl)pyrimidine
SMILESCC.CCc1ccn(-c2ncccn2)n1
InChIInChI=1S/C9H10N4.C2H6/c1-2-8-4-7-13(12-8)9-10-5-3-6-11-9;1-2/h3-7H,2H2,1H3;1-2H3
InChIKeyIEIXOPHMPXKRKI-UHFFFAOYSA-N
XLogP2.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-methylpropyl)pyrazol-1-yl]pyrimidine
CID 20771879
4-(3-ethylpyrazol-1-yl)pyridine
CID 66015534
ethane;2-(3-ethylpyrazol-1-yl)-5-fluoropyridine
CID 143496708
3-ethyl-1-(2,4,6-trimethylphenyl)pyrazole
CID 66015945
ethane;2-ethylpyridine
CID 91102000
3-(bromomethyl)-1-(2-ethylphenyl)pyrazole
CID 84617468
ethane;2-ethylpyridine;methane
CID 142439308
3-ethyl-1-methylpyrazole;propane
CID 170573719
4-(3-ethylpyrazol-1-yl)-3-fluoroaniline
CID 154882284
2-methyl-1-[(1-phenylpyrazol-3-yl)methyl]imidazole
CID 62301544
2-ethylpyridine;sulfane
CID 67363352
acetylene;2-ethylpyridine
CID 145358493

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-ethylpyrazol-1-yl)pyrimidine?
The IUPAC name of ethane;2-(3-ethylpyrazol-1-yl)pyrimidine (CID 143443415) is ethane;2-(3-ethylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for ethane;2-(3-ethylpyrazol-1-yl)pyrimidine?
The canonical SMILES for ethane;2-(3-ethylpyrazol-1-yl)pyrimidine is CC.CCc1ccn(-c2ncccn2)n1.
What is the InChIKey of ethane;2-(3-ethylpyrazol-1-yl)pyrimidine?
The InChIKey is IEIXOPHMPXKRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4.C2H6/c1-2-8-4-7-13(12-8)9-10-5-3-6-11-9;1-2/h3-7H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-(3-ethylpyrazol-1-yl)pyrimidine?
ethane;2-(3-ethylpyrazol-1-yl)pyrimidine has a molecular weight of 204.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-ethylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 143443415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).