4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole

C11H16N4 — CID 5245630

IUPAC4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1Cc1c(C)n[nH]c1C
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
MW204.28 g/mol
LogP1.96
Rot. Bonds2

About 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole

4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole (PubChem CID 5245630) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole
PubChem CID5245630
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1Cc1c(C)n[nH]c1C
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
XLogP1.96
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.96
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 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole (CID 5245630) is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole is Cc1n[nH]c(C)c1Cc1c(C)n[nH]c1C.
What is the InChIKey of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole?
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 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole?
4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole has a molecular weight of 204.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 5245630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).