1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2,5-dimethylphenyl]methyl]-3,5-dimethylpyrazole

C20H26N4 — CID 658401

IUPAC1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2,5-dimethylphenyl]methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cc2cc(C)c(Cn3nc(C)cc3C)cc2C)n1
InChIInChI=1S/C20H26N4/c1-13-7-20(12-24-18(6)10-16(4)22-24)14(2)8-19(13)11-23-17(5)9-15(3)21-23/h7-10H,11-12H2,1-6H3
InChIKeyVDSSBNSBAQMOQC-UHFFFAOYSA-N
MW322.46 g/mol
LogP4.03
Rot. Bonds4

About 1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2,5-dimethylphenyl]methyl]-3,5-dimethylpyrazole

1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2,5-dimethylphenyl]methyl]-3,5-dimethylpyrazole (PubChem CID 658401) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2,5-dimethylphenyl]methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2,5-dimethylphenyl]methyl]-3,5-dimethylpyrazole
PubChem CID658401
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2,5-dimethylphenyl]methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cc2cc(C)c(Cn3nc(C)cc3C)cc2C)n1
InChIInChI=1S/C20H26N4/c1-13-7-20(12-24-18(6)10-16(4)22-24)14(2)8-19(13)11-23-17(5)9-15(3)21-23/h7-10H,11-12H2,1-6H3
InChIKeyVDSSBNSBAQMOQC-UHFFFAOYSA-N
XLogP4.03
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2,5-dimethylphenyl]methyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2,5-dimethylphenyl]methyl]-3,5-dimethylpyrazole (CID 658401) is 1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2,5-dimethylphenyl]methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2,5-dimethylphenyl]methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2,5-dimethylphenyl]methyl]-3,5-dimethylpyrazole is Cc1cc(C)n(Cc2cc(C)c(Cn3nc(C)cc3C)cc2C)n1.
What is the InChIKey of 1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2,5-dimethylphenyl]methyl]-3,5-dimethylpyrazole?
The InChIKey is VDSSBNSBAQMOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-13-7-20(12-24-18(6)10-16(4)22-24)14(2)8-19(13)11-23-17(5)9-15(3)21-23/h7-10H,11-12H2,1-6H3.
What are the key properties of 1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2,5-dimethylphenyl]methyl]-3,5-dimethylpyrazole?
1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2,5-dimethylphenyl]methyl]-3,5-dimethylpyrazole has a molecular weight of 322.46 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2,5-dimethylphenyl]methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 658401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).