1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole

C12H18N4 — CID 644841

IUPAC1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(C(C)n2nc(C)cc2C)n1
InChIInChI=1S/C12H18N4/c1-8-6-10(3)15(13-8)12(5)16-11(4)7-9(2)14-16/h6-7,12H,1-5H3
InChIKeyXGOAPIRHXNVLFQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.38
Rot. Bonds2

About 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole

1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole (PubChem CID 644841) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole
PubChem CID644841
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(C(C)n2nc(C)cc2C)n1
InChIInChI=1S/C12H18N4/c1-8-6-10(3)15(13-8)12(5)16-11(4)7-9(2)14-16/h6-7,12H,1-5H3
InChIKeyXGOAPIRHXNVLFQ-UHFFFAOYSA-N
XLogP2.38
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Allyl-3,5-dimethylpyrazole
CID 25930
1,2-Bis(3,5-dimethylpyrazol-1-yl)ethane
CID 661322
1,1'-(2-butene-1,4-diyl)bis(3,5-dimethyl-1H-pyrazole)
CID 2055740
N,N-bis(3,5-dimethylpyrazol-1-ylmethyl)-cyclohexylamine
CID 404566
Bis(3,5-dimethylpyrazol-1-yl)methanone
CID 333852
N-[2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethyl]-3,5-dimethyl-1H-pyrazole-1-ethanamine
CID 361753
4-{bis[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino}-1-butanol
CID 404569
N',N'-bis[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-diethylpropane-1,3-diamine
CID 54576748
Bis[(3,5-dimethylpyrazol-1-yl)ethyl] disulfide
CID 85700860
1-Butyl-3,5-dimethyl-1H-pyrazole
CID 573083
Tris(3,5-dimethyl-1-pyrazolyl)methane
CID 4359225
1H-Pyrazole, 1,1'-(1,3-dioxo-1,3-digermoxanediyl)bis(methylene)bis(3,5-dimethyl-
CID 3086949

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole (CID 644841) is 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole is Cc1cc(C)n(C(C)n2nc(C)cc2C)n1.
What is the InChIKey of 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole?
The InChIKey is XGOAPIRHXNVLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-8-6-10(3)15(13-8)12(5)16-11(4)7-9(2)14-16/h6-7,12H,1-5H3.
What are the key properties of 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole?
1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole has a molecular weight of 218.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 644841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).