1H-Pyrazole, 4,4'-methylenebis[3,5-dimethyl-

C11H16N4 — CID 5245630

IUPAC4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole
SMILESCC1=C(C(=NN1)C)CC2=C(NN=C2C)C
InChIInChI=1S/C11H16N4/c1-6-10(7(2)13-12-6)5-11-8(3)14-15-9(11)4/h5H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyYCVRIOKURDSNRO-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.00
Rot. Bonds2

About 1H-Pyrazole, 4,4'-methylenebis[3,5-dimethyl-

1H-Pyrazole, 4,4'-methylenebis[3,5-dimethyl- (PubChem CID 5245630) has the molecular formula C11H16N4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name1H-Pyrazole, 4,4'-methylenebis[3,5-dimethyl-
PubChem CID5245630
Molecular FormulaC11H16N4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole
SMILESCC1=C(C(=NN1)C)CC2=C(NN=C2C)C
InChIInChI=1S/C11H16N4/c1-6-10(7(2)13-12-6)5-11-8(3)14-15-9(11)4/h5H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyYCVRIOKURDSNRO-UHFFFAOYSA-N
XLogP2.00
TPSA57.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity199

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Pentyl-4,5,6,7-tetrahydro-1H-indazole
CID 585962
3,5-Diethyl-4-methylpyrazole
CID 139517
3,3',5,5'-Tetramethyl-1H,1'H-4,4'-bipyrazole
CID 744436
3-methyl-4,5,6,7-tetrahydro-1H-indazole
CID 312127
4-(3-Bromopropyl)-3,5-dimethyl-1H-pyrazole
CID 129600822
3,5-Di-t-butyl-4-methylpyrazole
CID 140411
3-Methyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole
CID 23279515
3-ethyl-4,5-dimethyl-1H-pyrazole
CID 2753139
4-Ethyl-3,5-dipropyl-1H-pyrazole
CID 586388
3-Methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
CID 12204862
Pyrazole, 3-cyclopentyl-5-ethyl-4-methyl-
CID 171383954
Pyrazole, 3(5)-cyclopropyl-5(3)-ethyl-4-methyl-
CID 171384521

Frequently Asked Questions

What is the IUPAC name of 1H-Pyrazole, 4,4'-methylenebis[3,5-dimethyl-?
The IUPAC name of 1H-Pyrazole, 4,4'-methylenebis[3,5-dimethyl- (CID 5245630) is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 1H-Pyrazole, 4,4'-methylenebis[3,5-dimethyl-?
The canonical SMILES for 1H-Pyrazole, 4,4'-methylenebis[3,5-dimethyl- is CC1=C(C(=NN1)C)CC2=C(NN=C2C)C.
What is the InChIKey of 1H-Pyrazole, 4,4'-methylenebis[3,5-dimethyl-?
The InChIKey is YCVRIOKURDSNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-6-10(7(2)13-12-6)5-11-8(3)14-15-9(11)4/h5H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 1H-Pyrazole, 4,4'-methylenebis[3,5-dimethyl-?
1H-Pyrazole, 4,4'-methylenebis[3,5-dimethyl- has a molecular weight of 204.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-Pyrazole, 4,4'-methylenebis[3,5-dimethyl- is sourced from PubChem (CID 5245630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).