[1-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone

C21H28N4O3 — CID 24990498

IUPAC[1-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnn(-c2ccc(OC3CCN(CCO)CC3)cc2)c1)N1CCCC1
InChIInChI=1S/C21H28N4O3/c26-14-13-23-11-7-20(8-12-23)28-19-5-3-18(4-6-19)25-16-17(15-22-25)21(27)24-9-1-2-10-24/h3-6,15-16,20,26H,1-2,7-14H2
InChIKeyNGSJSRRSEDDTHX-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.94
Rot. Bonds6

About [1-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone

[1-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 24990498) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is [1-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID24990498
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name[1-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnn(-c2ccc(OC3CCN(CCO)CC3)cc2)c1)N1CCCC1
InChIInChI=1S/C21H28N4O3/c26-14-13-23-11-7-20(8-12-23)28-19-5-3-18(4-6-19)25-16-17(15-22-25)21(27)24-9-1-2-10-24/h3-6,15-16,20,26H,1-2,7-14H2
InChIKeyNGSJSRRSEDDTHX-UHFFFAOYSA-N
XLogP1.94
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazol-4-yl]-piperidin-1-ylmethanone
CID 58186900
azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
[4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 72874168
[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42512447
[4-[1-(3-phenylpropyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24793060
1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole-4-carboxylic acid
CID 152783651
[4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 42242129
[1-(4-bromophenyl)pyrazol-4-yl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112836546
[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
CID 110895266
(4-cyclobutyloxyphenyl)-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 136528671
[4-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25372785
[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]-(1,4-oxazepan-4-yl)methanone
CID 74819977

Frequently Asked Questions

What is the IUPAC name of [1-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone (CID 24990498) is [1-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1cnn(-c2ccc(OC3CCN(CCO)CC3)cc2)c1)N1CCCC1.
What is the InChIKey of [1-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NGSJSRRSEDDTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c26-14-13-23-11-7-20(8-12-23)28-19-5-3-18(4-6-19)25-16-17(15-22-25)21(27)24-9-1-2-10-24/h3-6,15-16,20,26H,1-2,7-14H2.
What are the key properties of [1-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone?
[1-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 384.48 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24990498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).