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

C18H22N4 — CID 11609040

IUPAC4-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1Cc1ccc(Cc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C18H22N4/c1-11-17(12(2)20-19-11)9-15-5-7-16(8-6-15)10-18-13(3)21-22-14(18)4/h5-8H,9-10H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyIUXDQGUCYKENPT-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.55
Rot. Bonds4

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

4-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-1H-pyrazole (PubChem CID 11609040) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-1H-pyrazole
PubChem CID11609040
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name4-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1Cc1ccc(Cc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C18H22N4/c1-11-17(12(2)20-19-11)9-15-5-7-16(8-6-15)10-18-13(3)21-22-14(18)4/h5-8H,9-10H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyIUXDQGUCYKENPT-UHFFFAOYSA-N
XLogP3.55
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-1H-pyrazole (CID 11609040) is 4-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-1H-pyrazole is Cc1n[nH]c(C)c1Cc1ccc(Cc2c(C)n[nH]c2C)cc1.
What is the InChIKey of 4-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-1H-pyrazole?
The InChIKey is IUXDQGUCYKENPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-11-17(12(2)20-19-11)9-15-5-7-16(8-6-15)10-18-13(3)21-22-14(18)4/h5-8H,9-10H2,1-4H3,(H,19,20)(H,21,22).
What are the key properties of 4-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-1H-pyrazole?
4-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-1H-pyrazole has a molecular weight of 294.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 11609040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).