5-(4-chlorophenyl)-N'-cyclopropyl-1-(2,4-dichlorophenyl)-N-morpholin-4-ylpyrazole-3-carboximidamide

C23H22Cl3N5O — CID 118470760

IUPAC5-(4-chlorophenyl)-N'-cyclopropyl-1-(2,4-dichlorophenyl)-N-morpholin-4-ylpyrazole-3-carboximidamide
SMILESClc1ccc(-c2cc(/C(=N\C3CC3)NN3CCOCC3)nn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H22Cl3N5O/c24-16-3-1-15(2-4-16)22-14-20(28-31(22)21-8-5-17(25)13-19(21)26)23(27-18-6-7-18)29-30-9-11-32-12-10-30/h1-5,8,13-14,18H,6-7,9-12H2,(H,27,29)
InChIKeySZMYWBBWAILPTI-UHFFFAOYSA-N
MW490.82 g/mol
LogP5.25
Rot. Bonds5

About 5-(4-chlorophenyl)-N'-cyclopropyl-1-(2,4-dichlorophenyl)-N-morpholin-4-ylpyrazole-3-carboximidamide

5-(4-chlorophenyl)-N'-cyclopropyl-1-(2,4-dichlorophenyl)-N-morpholin-4-ylpyrazole-3-carboximidamide (PubChem CID 118470760) has the molecular formula C23H22Cl3N5O and a molecular weight of 490.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N'-cyclopropyl-1-(2,4-dichlorophenyl)-N-morpholin-4-ylpyrazole-3-carboximidamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N'-cyclopropyl-1-(2,4-dichlorophenyl)-N-morpholin-4-ylpyrazole-3-carboximidamide
PubChem CID118470760
Molecular FormulaC23H22Cl3N5O
Molecular Weight490.82 g/mol
Exact Mass489.09
IUPAC Name5-(4-chlorophenyl)-N'-cyclopropyl-1-(2,4-dichlorophenyl)-N-morpholin-4-ylpyrazole-3-carboximidamide
SMILESClc1ccc(-c2cc(/C(=N\C3CC3)NN3CCOCC3)nn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H22Cl3N5O/c24-16-3-1-15(2-4-16)22-14-20(28-31(22)21-8-5-17(25)13-19(21)26)23(27-18-6-7-18)29-30-9-11-32-12-10-30/h1-5,8,13-14,18H,6-7,9-12H2,(H,27,29)
InChIKeySZMYWBBWAILPTI-UHFFFAOYSA-N
XLogP5.25
TPSA54.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.82
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-N'-cyclopropyl-1-(2,4-dichlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazole-3-carboximidamide
CID 118470623
N'-(1-adamantyl)-5-(4-chlorophenyl)-N-cyano-1-(2,4-dichlorophenyl)pyrazole-3-carboximidamide
CID 118470036
5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-morpholin-4-ylpyrazole-3-carboxamide
CID 71089145
1-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-N-morpholin-4-ylpyrazole-4-carboxamide
CID 25185965
[(4-acetylpiperazin-1-yl)-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methylidene]cyanamide
CID 118470441
(2S)-2-[[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]-(cyanoamino)methylidene]amino]-3-methylbutanamide
CID 118470625
5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
CID 67158956
1-(2,4-dichlorophenyl)-5-phenylpyrazole-3-carboxylate
CID 6986761
[5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 5128071
[4-[1-(2,4-dichlorophenyl)-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]phenyl] propane-1-sulfonate
CID 11284072
1-[1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazol-3-yl]-3-cyclohexyl-2-cyclopropylguanidine
CID 118470414
1-(2,4-dichlorophenyl)-N-morpholin-4-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24966851

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N'-cyclopropyl-1-(2,4-dichlorophenyl)-N-morpholin-4-ylpyrazole-3-carboximidamide?
The IUPAC name of 5-(4-chlorophenyl)-N'-cyclopropyl-1-(2,4-dichlorophenyl)-N-morpholin-4-ylpyrazole-3-carboximidamide (CID 118470760) is 5-(4-chlorophenyl)-N'-cyclopropyl-1-(2,4-dichlorophenyl)-N-morpholin-4-ylpyrazole-3-carboximidamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N'-cyclopropyl-1-(2,4-dichlorophenyl)-N-morpholin-4-ylpyrazole-3-carboximidamide?
The canonical SMILES for 5-(4-chlorophenyl)-N'-cyclopropyl-1-(2,4-dichlorophenyl)-N-morpholin-4-ylpyrazole-3-carboximidamide is Clc1ccc(-c2cc(/C(=N\C3CC3)NN3CCOCC3)nn2-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N'-cyclopropyl-1-(2,4-dichlorophenyl)-N-morpholin-4-ylpyrazole-3-carboximidamide?
The InChIKey is SZMYWBBWAILPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl3N5O/c24-16-3-1-15(2-4-16)22-14-20(28-31(22)21-8-5-17(25)13-19(21)26)23(27-18-6-7-18)29-30-9-11-32-12-10-30/h1-5,8,13-14,18H,6-7,9-12H2,(H,27,29).
What are the key properties of 5-(4-chlorophenyl)-N'-cyclopropyl-1-(2,4-dichlorophenyl)-N-morpholin-4-ylpyrazole-3-carboximidamide?
5-(4-chlorophenyl)-N'-cyclopropyl-1-(2,4-dichlorophenyl)-N-morpholin-4-ylpyrazole-3-carboximidamide has a molecular weight of 490.82 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N'-cyclopropyl-1-(2,4-dichlorophenyl)-N-morpholin-4-ylpyrazole-3-carboximidamide is sourced from PubChem (CID 118470760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).