2-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-2-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-4-methylpyridine;4-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;ethane

C52H76N12 — CID 163461529

IUPAC2-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-2-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-4-methylpyridine;4-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;ethane
SMILESCC.CC.CC.CC.Cc1cccnc1-c1c(C)cnn1C.Cc1ccncc1-c1c(C)cnn1C.Cc1cnccc1-c1c(C)cnn1C.Cc1cnn(C)c1-c1cccnc1C
InChIInChI=1S/4C11H13N3.4C2H6/c1-8-6-12-5-4-10(8)11-9(2)7-13-14(11)3;1-8-4-5-12-7-10(8)11-9(2)6-13-14(11)3;1-8-7-13-14(3)11(8)10-5-4-6-12-9(10)2;1-8-5-4-6-12-10(8)11-9(2)7-13-14(11)3;4*1-2/h4*4-7H,1-3H3;4*1-2H3
InChIKeyBOZFRJDZQSDBCD-UHFFFAOYSA-N
MW869.26 g/mol
LogP12.50
Rot. Bonds4

About 2-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-2-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-4-methylpyridine;4-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;ethane

2-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-2-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-4-methylpyridine;4-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;ethane (PubChem CID 163461529) has the molecular formula C52H76N12 and a molecular weight of 869.26 g/mol. Its IUPAC name is 2-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-2-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-4-methylpyridine;4-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;ethane.

Molecular Properties

Compound Name2-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-2-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-4-methylpyridine;4-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;ethane
PubChem CID163461529
Molecular FormulaC52H76N12
Molecular Weight869.26 g/mol
Exact Mass868.63
IUPAC Name2-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-2-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-4-methylpyridine;4-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;ethane
SMILESCC.CC.CC.CC.Cc1cccnc1-c1c(C)cnn1C.Cc1ccncc1-c1c(C)cnn1C.Cc1cnccc1-c1c(C)cnn1C.Cc1cnn(C)c1-c1cccnc1C
InChIInChI=1S/4C11H13N3.4C2H6/c1-8-6-12-5-4-10(8)11-9(2)7-13-14(11)3;1-8-4-5-12-7-10(8)11-9(2)6-13-14(11)3;1-8-7-13-14(3)11(8)10-5-4-6-12-9(10)2;1-8-5-4-6-12-10(8)11-9(2)7-13-14(11)3;4*1-2/h4*4-7H,1-3H3;4*1-2H3
InChIKeyBOZFRJDZQSDBCD-UHFFFAOYSA-N
XLogP12.50
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500869.26
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-2-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-4-methylpyridine;4-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-2-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-4-methylpyridine;4-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;ethane?
The IUPAC name of 2-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-2-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-4-methylpyridine;4-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;ethane (CID 163461529) is 2-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-2-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-4-methylpyridine;4-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;ethane.
What is the SMILES notation for 2-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-2-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-4-methylpyridine;4-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;ethane?
The canonical SMILES for 2-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-2-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-4-methylpyridine;4-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;ethane is CC.CC.CC.CC.Cc1cccnc1-c1c(C)cnn1C.Cc1ccncc1-c1c(C)cnn1C.Cc1cnccc1-c1c(C)cnn1C.Cc1cnn(C)c1-c1cccnc1C.
What is the InChIKey of 2-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-2-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-4-methylpyridine;4-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;ethane?
The InChIKey is BOZFRJDZQSDBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H13N3.4C2H6/c1-8-6-12-5-4-10(8)11-9(2)7-13-14(11)3;1-8-4-5-12-7-10(8)11-9(2)6-13-14(11)3;1-8-7-13-14(3)11(8)10-5-4-6-12-9(10)2;1-8-5-4-6-12-10(8)11-9(2)7-13-14(11)3;4*1-2/h4*4-7H,1-3H3;4*1-2H3.
What are the key properties of 2-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-2-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-4-methylpyridine;4-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;ethane?
2-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-2-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-4-methylpyridine;4-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;ethane has a molecular weight of 869.26 g/mol, XLogP of 12.50, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-2-methylpyridine;3-(1,4-dimethylpyrazol-5-yl)-4-methylpyridine;4-(1,4-dimethylpyrazol-5-yl)-3-methylpyridine;ethane is sourced from PubChem (CID 163461529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).