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

C19H26N4 — CID 5303281

IUPAC1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4H-pyrazol-1-yl)methyl]pyrazole
SMILESCC1=NN(Cc2c(C)nn(Cc3ccccc3)c2C)C(C)(C)C1
InChIInChI=1S/C19H26N4/c1-14-11-19(4,5)23(20-14)13-18-15(2)21-22(16(18)3)12-17-9-7-6-8-10-17/h6-10H,11-13H2,1-5H3
InChIKeyODAXHTVSYNUEAK-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.91
Rot. Bonds4

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

1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4H-pyrazol-1-yl)methyl]pyrazole (PubChem CID 5303281) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4H-pyrazol-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4H-pyrazol-1-yl)methyl]pyrazole
PubChem CID5303281
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4H-pyrazol-1-yl)methyl]pyrazole
SMILESCC1=NN(Cc2c(C)nn(Cc3ccccc3)c2C)C(C)(C)C1
InChIInChI=1S/C19H26N4/c1-14-11-19(4,5)23(20-14)13-18-15(2)21-22(16(18)3)12-17-9-7-6-8-10-17/h6-10H,11-13H2,1-5H3
InChIKeyODAXHTVSYNUEAK-UHFFFAOYSA-N
XLogP3.91
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4H-pyrazol-1-yl)methyl]pyrazole?
The IUPAC name of 1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4H-pyrazol-1-yl)methyl]pyrazole (CID 5303281) is 1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4H-pyrazol-1-yl)methyl]pyrazole.
What is the SMILES notation for 1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4H-pyrazol-1-yl)methyl]pyrazole?
The canonical SMILES for 1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4H-pyrazol-1-yl)methyl]pyrazole is CC1=NN(Cc2c(C)nn(Cc3ccccc3)c2C)C(C)(C)C1.
What is the InChIKey of 1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4H-pyrazol-1-yl)methyl]pyrazole?
The InChIKey is ODAXHTVSYNUEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-14-11-19(4,5)23(20-14)13-18-15(2)21-22(16(18)3)12-17-9-7-6-8-10-17/h6-10H,11-13H2,1-5H3.
What are the key properties of 1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4H-pyrazol-1-yl)methyl]pyrazole?
1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4H-pyrazol-1-yl)methyl]pyrazole has a molecular weight of 310.44 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4H-pyrazol-1-yl)methyl]pyrazole is sourced from PubChem (CID 5303281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).