5-(4-chlorophenyl)-N,N'-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethenyl)-3,4-dihydropyrazole-2-carboximidamide

C24H26ClN5O — CID 143257392

IUPAC5-(4-chlorophenyl)-N,N'-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethenyl)-3,4-dihydropyrazole-2-carboximidamide
SMILESC=C(c1ccccc1)N(C)/C(=N\C)N1CC(N2CCCC2=O)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C24H26ClN5O/c1-17(18-8-5-4-6-9-18)28(3)24(26-2)30-16-21(29-15-7-10-22(29)31)23(27-30)19-11-13-20(25)14-12-19/h4-6,8-9,11-14,21H,1,7,10,15-16H2,2-3H3/b26-24+
InChIKeyXMUCJFIMDBHYPL-SHHOIMCASA-N
MW435.96 g/mol
LogP3.94
Rot. Bonds4

About 5-(4-chlorophenyl)-N,N'-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethenyl)-3,4-dihydropyrazole-2-carboximidamide

5-(4-chlorophenyl)-N,N'-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethenyl)-3,4-dihydropyrazole-2-carboximidamide (PubChem CID 143257392) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N,N'-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethenyl)-3,4-dihydropyrazole-2-carboximidamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N,N'-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethenyl)-3,4-dihydropyrazole-2-carboximidamide
PubChem CID143257392
Molecular FormulaC24H26ClN5O
Molecular Weight435.96 g/mol
Exact Mass435.18
IUPAC Name5-(4-chlorophenyl)-N,N'-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethenyl)-3,4-dihydropyrazole-2-carboximidamide
SMILESC=C(c1ccccc1)N(C)/C(=N\C)N1CC(N2CCCC2=O)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C24H26ClN5O/c1-17(18-8-5-4-6-9-18)28(3)24(26-2)30-16-21(29-15-7-10-22(29)31)23(27-30)19-11-13-20(25)14-12-19/h4-6,8-9,11-14,21H,1,7,10,15-16H2,2-3H3/b26-24+
InChIKeyXMUCJFIMDBHYPL-SHHOIMCASA-N
XLogP3.94
TPSA51.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N,N'-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethenyl)-3,4-dihydropyrazole-2-carboximidamide?
The IUPAC name of 5-(4-chlorophenyl)-N,N'-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethenyl)-3,4-dihydropyrazole-2-carboximidamide (CID 143257392) is 5-(4-chlorophenyl)-N,N'-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethenyl)-3,4-dihydropyrazole-2-carboximidamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N,N'-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethenyl)-3,4-dihydropyrazole-2-carboximidamide?
The canonical SMILES for 5-(4-chlorophenyl)-N,N'-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethenyl)-3,4-dihydropyrazole-2-carboximidamide is C=C(c1ccccc1)N(C)/C(=N\C)N1CC(N2CCCC2=O)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 5-(4-chlorophenyl)-N,N'-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethenyl)-3,4-dihydropyrazole-2-carboximidamide?
The InChIKey is XMUCJFIMDBHYPL-SHHOIMCASA-N. The full InChI is InChI=1S/C24H26ClN5O/c1-17(18-8-5-4-6-9-18)28(3)24(26-2)30-16-21(29-15-7-10-22(29)31)23(27-30)19-11-13-20(25)14-12-19/h4-6,8-9,11-14,21H,1,7,10,15-16H2,2-3H3/b26-24+.
What are the key properties of 5-(4-chlorophenyl)-N,N'-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethenyl)-3,4-dihydropyrazole-2-carboximidamide?
5-(4-chlorophenyl)-N,N'-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethenyl)-3,4-dihydropyrazole-2-carboximidamide has a molecular weight of 435.96 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N,N'-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-(1-phenylethenyl)-3,4-dihydropyrazole-2-carboximidamide is sourced from PubChem (CID 143257392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).