(Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-morpholin-4-ylmethanimine

C21H22N4O — CID 9216790

IUPAC(Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-morpholin-4-ylmethanimine
SMILESC(=N\N1CCOCC1)\c1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H22N4O/c1-3-7-18(8-4-1)16-25-17-20(15-22-24-11-13-26-14-12-24)21(23-25)19-9-5-2-6-10-19/h1-10,15,17H,11-14,16H2/b22-15-
InChIKeyPPQCTAPRKVRLTC-JCMHNJIXSA-N
MW346.43 g/mol
LogP3.26
Rot. Bonds5

About (Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-morpholin-4-ylmethanimine

(Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-morpholin-4-ylmethanimine (PubChem CID 9216790) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is (Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name(Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-morpholin-4-ylmethanimine
PubChem CID9216790
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name(Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-morpholin-4-ylmethanimine
SMILESC(=N\N1CCOCC1)\c1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H22N4O/c1-3-7-18(8-4-1)16-25-17-20(15-22-24-11-13-26-14-12-24)21(23-25)19-9-5-2-6-10-19/h1-10,15,17H,11-14,16H2/b22-15-
InChIKeyPPQCTAPRKVRLTC-JCMHNJIXSA-N
XLogP3.26
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine
CID 9142774
(Z)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
CID 9216828
(Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-methoxymethanimine
CID 27718163
(Z)-1-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-(4-methylpiperazin-1-yl)methanimine
CID 9058693
(Z)-N-morpholin-4-yl-1-[1-(4-nitrophenyl)-3-phenylpyrazol-4-yl]methanimine
CID 6162232
(Z)-N-(benzimidazol-1-yl)-1-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methanimine
CID 9023766
1-[(Z)-(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 9410457
N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
CID 4504148
(Z)-1-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
CID 8973426
(Z)-N-morpholin-4-yl-2-phenylethanimine
CID 137320841
N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide
CID 9143206
(Z)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-pyridin-2-ylprop-2-enenitrile
CID 92519587

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-morpholin-4-ylmethanimine?
The IUPAC name of (Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-morpholin-4-ylmethanimine (CID 9216790) is (Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-morpholin-4-ylmethanimine.
What is the SMILES notation for (Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-morpholin-4-ylmethanimine?
The canonical SMILES for (Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-morpholin-4-ylmethanimine is C(=N\N1CCOCC1)\c1cn(Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-morpholin-4-ylmethanimine?
The InChIKey is PPQCTAPRKVRLTC-JCMHNJIXSA-N. The full InChI is InChI=1S/C21H22N4O/c1-3-7-18(8-4-1)16-25-17-20(15-22-24-11-13-26-14-12-24)21(23-25)19-9-5-2-6-10-19/h1-10,15,17H,11-14,16H2/b22-15-.
What are the key properties of (Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-morpholin-4-ylmethanimine?
(Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-morpholin-4-ylmethanimine has a molecular weight of 346.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1-benzyl-3-phenylpyrazol-4-yl)-N-morpholin-4-ylmethanimine is sourced from PubChem (CID 9216790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).