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

C11H16N4 — CID 5245492

IUPAC1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cn2nc(C)cc2C)n1
InChIInChI=1S/C11H16N4/c1-8-5-10(3)14(12-8)7-15-11(4)6-9(2)13-15/h5-6H,7H2,1-4H3
InChIKeyLGQXVRIHIPWAFZ-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.82
Rot. Bonds2

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

1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole (PubChem CID 5245492) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole
PubChem CID5245492
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cn2nc(C)cc2C)n1
InChIInChI=1S/C11H16N4/c1-8-5-10(3)14(12-8)7-15-11(4)6-9(2)13-15/h5-6H,7H2,1-4H3
InChIKeyLGQXVRIHIPWAFZ-UHFFFAOYSA-N
XLogP1.82
TPSA35.64 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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-Trimethylpyrazole
CID 14081
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
1-[1-(3,5-Dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole
CID 644841
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

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole (CID 5245492) is 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole is Cc1cc(C)n(Cn2nc(C)cc2C)n1.
What is the InChIKey of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole?
The InChIKey is LGQXVRIHIPWAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-8-5-10(3)14(12-8)7-15-11(4)6-9(2)13-15/h5-6H,7H2,1-4H3.
What are the key properties of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole?
1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole has a molecular weight of 204.28 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 5245492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).