1-(2-methoxyethyl)-4-(1-phenylpyrazol-3-yl)pyrazole

C15H16N4O — CID 150987741

IUPAC1-(2-methoxyethyl)-4-(1-phenylpyrazol-3-yl)pyrazole
SMILESCOCCn1cc(-c2ccn(-c3ccccc3)n2)cn1
InChIInChI=1S/C15H16N4O/c1-20-10-9-18-12-13(11-16-18)15-7-8-19(17-15)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3
InChIKeyLRLFNFBUYOYHQP-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.38
Rot. Bonds5

About 1-(2-methoxyethyl)-4-(1-phenylpyrazol-3-yl)pyrazole

1-(2-methoxyethyl)-4-(1-phenylpyrazol-3-yl)pyrazole (PubChem CID 150987741) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(1-phenylpyrazol-3-yl)pyrazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-(1-phenylpyrazol-3-yl)pyrazole
PubChem CID150987741
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name1-(2-methoxyethyl)-4-(1-phenylpyrazol-3-yl)pyrazole
SMILESCOCCn1cc(-c2ccn(-c3ccccc3)n2)cn1
InChIInChI=1S/C15H16N4O/c1-20-10-9-18-12-13(11-16-18)15-7-8-19(17-15)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3
InChIKeyLRLFNFBUYOYHQP-UHFFFAOYSA-N
XLogP2.38
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazol-1-yl]ethanol
CID 172649303
1-(3-methoxypropyl)-4-(3-phenylphenyl)pyrazole
CID 166333734
1-(2-methoxyethyl)-4-(1-methylpyrazol-3-yl)pyrazole;1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 161321446
2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol
CID 47012675
1-(2-methoxyethyl)-4-[4-(4-methoxyphenoxy)phenyl]pyrazole
CID 166333732
2-[4-(4-methyl-1-phenylpyrazol-3-yl)pyrazol-1-yl]ethanol
CID 142747346
1-(2-methoxyethyl)-4-phenyltriazole
CID 50852603
4-bromo-1-(2-methoxyethyl)pyrazole
CID 23247855
1-(2-methoxyethyl)pyrazol-4-ol
CID 75466201
2-methoxy-6-methyl-4-(1-phenylpyrazol-3-yl)phenol
CID 160974231
phenyl 1-(2-methoxyethyl)pyrazole-4-carboxylate
CID 58592595
N-[3-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]acetamide
CID 154687718

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-(1-phenylpyrazol-3-yl)pyrazole?
The IUPAC name of 1-(2-methoxyethyl)-4-(1-phenylpyrazol-3-yl)pyrazole (CID 150987741) is 1-(2-methoxyethyl)-4-(1-phenylpyrazol-3-yl)pyrazole.
What is the SMILES notation for 1-(2-methoxyethyl)-4-(1-phenylpyrazol-3-yl)pyrazole?
The canonical SMILES for 1-(2-methoxyethyl)-4-(1-phenylpyrazol-3-yl)pyrazole is COCCn1cc(-c2ccn(-c3ccccc3)n2)cn1.
What is the InChIKey of 1-(2-methoxyethyl)-4-(1-phenylpyrazol-3-yl)pyrazole?
The InChIKey is LRLFNFBUYOYHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-20-10-9-18-12-13(11-16-18)15-7-8-19(17-15)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4-(1-phenylpyrazol-3-yl)pyrazole?
1-(2-methoxyethyl)-4-(1-phenylpyrazol-3-yl)pyrazole has a molecular weight of 268.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(1-phenylpyrazol-3-yl)pyrazole is sourced from PubChem (CID 150987741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).