1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole

C18H18N6 — CID 146044354

IUPAC1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole
SMILESCn1cc(CCn2ccnc2-c2ccnn2-c2ccccc2)cn1
InChIInChI=1S/C18H18N6/c1-22-14-15(13-21-22)8-11-23-12-10-19-18(23)17-7-9-20-24(17)16-5-3-2-4-6-16/h2-7,9-10,12-14H,8,11H2,1H3
InChIKeyCEBXYGXYJRKCPU-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.71
Rot. Bonds5

About 1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole

1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole (PubChem CID 146044354) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole
PubChem CID146044354
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole
SMILESCn1cc(CCn2ccnc2-c2ccnn2-c2ccccc2)cn1
InChIInChI=1S/C18H18N6/c1-22-14-15(13-21-22)8-11-23-12-10-19-18(23)17-7-9-20-24(17)16-5-3-2-4-6-16/h2-7,9-10,12-14H,8,11H2,1H3
InChIKeyCEBXYGXYJRKCPU-UHFFFAOYSA-N
XLogP2.71
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]pyrazolo[1,5-a]pyridine
CID 154566522
1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole
CID 154819420
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole
CID 146040358
1-methyl-4-[(2-phenylimidazol-1-yl)methyl]pyrazole
CID 155917955
1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde
CID 103005379
formic acid;4-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]benzamide
CID 154922508
2-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole;formic acid
CID 154924176
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]sulfanylacetic acid
CID 80688800
1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbothioamide
CID 103015046
formic acid;2-[[3-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]phenoxy]methyl]pyridine
CID 155940294
1-methyl-4-[(2-methylimidazol-1-yl)methyl]pyrazole
CID 62403698
1-[2-(1-methylpyrazol-4-yl)ethyl]indole-7-carbaldehyde
CID 103005409

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole?
The IUPAC name of 1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole (CID 146044354) is 1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole.
What is the SMILES notation for 1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole?
The canonical SMILES for 1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole is Cn1cc(CCn2ccnc2-c2ccnn2-c2ccccc2)cn1.
What is the InChIKey of 1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole?
The InChIKey is CEBXYGXYJRKCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-22-14-15(13-21-22)8-11-23-12-10-19-18(23)17-7-9-20-24(17)16-5-3-2-4-6-16/h2-7,9-10,12-14H,8,11H2,1H3.
What are the key properties of 1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole?
1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole has a molecular weight of 318.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole is sourced from PubChem (CID 146044354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).