4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1-ethylpyrazole-3-carboxamide

C22H20ClN5O — CID 19585690

IUPAC4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(C(N)=O)n1
InChIInChI=1S/C22H20ClN5O/c1-2-28-14-19(21(26-28)22(24)29)25-11-16-13-27(20-6-4-3-5-18(16)20)12-15-7-9-17(23)10-8-15/h3-11,13-14H,2,12H2,1H3,(H2,24,29)/b25-11+
InChIKeyQFIMQTWRRSYDMG-OPEKNORGSA-N
MW405.89 g/mol
LogP4.41
Rot. Bonds6

About 4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1-ethylpyrazole-3-carboxamide

4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1-ethylpyrazole-3-carboxamide (PubChem CID 19585690) has the molecular formula C22H20ClN5O and a molecular weight of 405.89 g/mol. Its IUPAC name is 4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1-ethylpyrazole-3-carboxamide
PubChem CID19585690
Molecular FormulaC22H20ClN5O
Molecular Weight405.89 g/mol
Exact Mass405.14
IUPAC Name4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(C(N)=O)n1
InChIInChI=1S/C22H20ClN5O/c1-2-28-14-19(21(26-28)22(24)29)25-11-16-13-27(20-6-4-3-5-18(16)20)12-15-7-9-17(23)10-8-15/h3-11,13-14H,2,12H2,1H3,(H2,24,29)/b25-11+
InChIKeyQFIMQTWRRSYDMG-OPEKNORGSA-N
XLogP4.41
TPSA78.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1-benzothiophene-3-carboxylate
CID 23803768
N'-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide
CID 6474442
1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde
CID 872445
2-[3-[(2,4-dichlorophenyl)iminomethyl]indol-1-yl]acetamide
CID 126389420
2-(4-chloroanilino)-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126369473
4-chloro-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 21379735
methyl 5-[[3-[(5-chloro-2-methoxyphenyl)iminomethyl]indol-1-yl]methyl]furan-2-carboxylate
CID 126398791
5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 3906017
1-[(4-chlorophenyl)methyl]-N-[(E)-(4-chlorophenyl)methylideneamino]indole-3-carboxamide
CID 156653432
[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]urea
CID 6045592
N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 92847108
2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126373063

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1-ethylpyrazole-3-carboxamide (CID 19585690) is 4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1-ethylpyrazole-3-carboxamide is CCn1cc(/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(C(N)=O)n1.
What is the InChIKey of 4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1-ethylpyrazole-3-carboxamide?
The InChIKey is QFIMQTWRRSYDMG-OPEKNORGSA-N. The full InChI is InChI=1S/C22H20ClN5O/c1-2-28-14-19(21(26-28)22(24)29)25-11-16-13-27(20-6-4-3-5-18(16)20)12-15-7-9-17(23)10-8-15/h3-11,13-14H,2,12H2,1H3,(H2,24,29)/b25-11+.
What are the key properties of 4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1-ethylpyrazole-3-carboxamide?
4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1-ethylpyrazole-3-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19585690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).