[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C25H28N4O — CID 56551199

IUPAC[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(-n2nccc2-c2ccccc2)c1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C25H28N4O/c30-25(28-17-12-22(13-18-28)27-15-4-5-16-27)21-9-6-10-23(19-21)29-24(11-14-26-29)20-7-2-1-3-8-20/h1-3,6-11,14,19,22H,4-5,12-13,15-18H2
InChIKeyTYPQXJVPOATMRT-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.24
Rot. Bonds4

About [3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 56551199) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is [3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID56551199
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(-n2nccc2-c2ccccc2)c1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C25H28N4O/c30-25(28-17-12-22(13-18-28)27-15-4-5-16-27)21-9-6-10-23(19-21)29-24(11-14-26-29)20-7-2-1-3-8-20/h1-3,6-11,14,19,22H,4-5,12-13,15-18H2
InChIKeyTYPQXJVPOATMRT-UHFFFAOYSA-N
XLogP4.24
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

morpholin-4-yl-[1-[3-(5-phenylpyrazol-1-yl)benzoyl]piperidin-4-yl]methanone
CID 47076761
[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 47877940
3-(5-phenylpyrazol-1-yl)benzoic acid
CID 16773226
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 119648835
3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid
CID 118577261
(4-amino-2-methylpiperidin-1-yl)-[3-(5-phenylpyrazol-1-yl)phenyl]methanone
CID 122149167
methyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate
CID 47897961
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 120806512
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
[2-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone
CID 166360657
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;oxalic acid
CID 90483391
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479

Frequently Asked Questions

What is the IUPAC name of [3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 56551199) is [3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is O=C(c1cccc(-n2nccc2-c2ccccc2)c1)N1CCC(N2CCCC2)CC1.
What is the InChIKey of [3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is TYPQXJVPOATMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c30-25(28-17-12-22(13-18-28)27-15-4-5-16-27)21-9-6-10-23(19-21)29-24(11-14-26-29)20-7-2-1-3-8-20/h1-3,6-11,14,19,22H,4-5,12-13,15-18H2.
What are the key properties of [3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 400.53 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 56551199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).