4-cyclopentyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one

C22H25N3O2 — CID 135355141

IUPAC4-cyclopentyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCC(c1ccccc1)n1cc(-c2cn(C)c(=O)cc2OC2CCCC2)cn1
InChIInChI=1S/C22H25N3O2/c1-16(17-8-4-3-5-9-17)25-14-18(13-23-25)20-15-24(2)22(26)12-21(20)27-19-10-6-7-11-19/h3-5,8-9,12-16,19H,6-7,10-11H2,1-2H3
InChIKeyCGCFIUWKFNSLAP-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.18
Rot. Bonds5

About 4-cyclopentyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one

4-cyclopentyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (PubChem CID 135355141) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-cyclopentyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name4-cyclopentyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
PubChem CID135355141
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-cyclopentyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCC(c1ccccc1)n1cc(-c2cn(C)c(=O)cc2OC2CCCC2)cn1
InChIInChI=1S/C22H25N3O2/c1-16(17-8-4-3-5-9-17)25-14-18(13-23-25)20-15-24(2)22(26)12-21(20)27-19-10-6-7-11-19/h3-5,8-9,12-16,19H,6-7,10-11H2,1-2H3
InChIKeyCGCFIUWKFNSLAP-UHFFFAOYSA-N
XLogP4.18
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US10617680, Example 252
CID 135355353
US10617680, Example 91
CID 135355383
US10617680, Example 92
CID 135355386
US10617680, Example 21
CID 135355395
US10617680, Example 26
CID 135355442
US10617680, Example 102
CID 135355042
US10617680, Example 44
CID 135355067
US10617680, Example 202
CID 135355129
US10617680, Example 167
CID 135355133
US10617680, Example 64
CID 135355151
US10617680, Example 170
CID 135355162
US10617680, Example 105
CID 135355166

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 4-cyclopentyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (CID 135355141) is 4-cyclopentyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 4-cyclopentyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 4-cyclopentyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is CC(c1ccccc1)n1cc(-c2cn(C)c(=O)cc2OC2CCCC2)cn1.
What is the InChIKey of 4-cyclopentyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The InChIKey is CGCFIUWKFNSLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16(17-8-4-3-5-9-17)25-14-18(13-23-25)20-15-24(2)22(26)12-21(20)27-19-10-6-7-11-19/h3-5,8-9,12-16,19H,6-7,10-11H2,1-2H3.
What are the key properties of 4-cyclopentyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
4-cyclopentyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one has a molecular weight of 363.46 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).