(Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one

C27H25N3O — CID 2423864

IUPAC(Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)N1CCCCC1
InChIInChI=1S/C27H25N3O/c31-26(29-17-7-2-8-18-29)16-15-24-20-30(25-11-3-1-4-12-25)28-27(24)23-14-13-21-9-5-6-10-22(21)19-23/h1,3-6,9-16,19-20H,2,7-8,17-18H2/b16-15-
InChIKeyGBVCEPAFFBNJKS-NXVVXOECSA-N
MW407.52 g/mol
LogP5.72
Rot. Bonds4

About (Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one

(Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one (PubChem CID 2423864) has the molecular formula C27H25N3O and a molecular weight of 407.52 g/mol. Its IUPAC name is (Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one
PubChem CID2423864
Molecular FormulaC27H25N3O
Molecular Weight407.52 g/mol
Exact Mass407.20
IUPAC Name(Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)N1CCCCC1
InChIInChI=1S/C27H25N3O/c31-26(29-17-7-2-8-18-29)16-15-24-20-30(25-11-3-1-4-12-25)28-27(24)23-14-13-21-9-5-6-10-22(21)19-23/h1,3-6,9-16,19-20H,2,7-8,17-18H2/b16-15-
InChIKeyGBVCEPAFFBNJKS-NXVVXOECSA-N
XLogP5.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-piperidin-1-ylprop-2-en-1-one
CID 2299076
(E)-1-(azetidin-1-yl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
CID 16609296
(E)-3-[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]-1-piperidin-1-ylprop-2-en-1-one
CID 1311123
(Z)-N,N-diethyl-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 175921342
(E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 31716696
3-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-1-morpholin-4-ylprop-2-en-1-one
CID 1306988
(E)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
CID 56547615
3-methyl-2-[[(E)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enoyl]amino]butanoic acid
CID 175449834
(E)-3-(1,3-diphenylpyrazol-4-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 55676240
(E)-3-(1,3-diphenylpyrazol-4-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one
CID 78838072
(E)-3-(1,3-diphenylpyrazol-4-yl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one
CID 31801388
3-(1,3-diphenylpyrazol-4-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one
CID 44522290

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of (Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one (CID 2423864) is (Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one is O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)N1CCCCC1.
What is the InChIKey of (Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is GBVCEPAFFBNJKS-NXVVXOECSA-N. The full InChI is InChI=1S/C27H25N3O/c31-26(29-17-7-2-8-18-29)16-15-24-20-30(25-11-3-1-4-12-25)28-27(24)23-14-13-21-9-5-6-10-22(21)19-23/h1,3-6,9-16,19-20H,2,7-8,17-18H2/b16-15-.
What are the key properties of (Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one?
(Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 407.52 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 2423864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).