1-(cyclohexylmethyl)-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazole

C22H28N4O — CID 78427293

IUPAC1-(cyclohexylmethyl)-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazole
SMILESCc1cc(OCc2cc(C)nn2-c2ccccc2)n(CC2CCCCC2)n1
InChIInChI=1S/C22H28N4O/c1-17-13-21(26(24-17)20-11-7-4-8-12-20)16-27-22-14-18(2)23-25(22)15-19-9-5-3-6-10-19/h4,7-8,11-14,19H,3,5-6,9-10,15-16H2,1-2H3
InChIKeyAROKZSQHURPZAU-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.84
Rot. Bonds6

About 1-(cyclohexylmethyl)-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazole

1-(cyclohexylmethyl)-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazole (PubChem CID 78427293) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazole.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazole
PubChem CID78427293
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name1-(cyclohexylmethyl)-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazole
SMILESCc1cc(OCc2cc(C)nn2-c2ccccc2)n(CC2CCCCC2)n1
InChIInChI=1S/C22H28N4O/c1-17-13-21(26(24-17)20-11-7-4-8-12-20)16-27-22-14-18(2)23-25(22)15-19-9-5-3-6-10-19/h4,7-8,11-14,19H,3,5-6,9-10,15-16H2,1-2H3
InChIKeyAROKZSQHURPZAU-UHFFFAOYSA-N
XLogP4.84
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazole?
The IUPAC name of 1-(cyclohexylmethyl)-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazole (CID 78427293) is 1-(cyclohexylmethyl)-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazole.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazole?
The canonical SMILES for 1-(cyclohexylmethyl)-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazole is Cc1cc(OCc2cc(C)nn2-c2ccccc2)n(CC2CCCCC2)n1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazole?
The InChIKey is AROKZSQHURPZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-17-13-21(26(24-17)20-11-7-4-8-12-20)16-27-22-14-18(2)23-25(22)15-19-9-5-3-6-10-19/h4,7-8,11-14,19H,3,5-6,9-10,15-16H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazole?
1-(cyclohexylmethyl)-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazole has a molecular weight of 364.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)methoxy]pyrazole is sourced from PubChem (CID 78427293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).