2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethanimidamide;hydrochloride

C17H15Cl3N4 — CID 21418346

IUPAC2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)Cc1c(-c2ccc(Cl)cc2)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C17H14Cl2N4.ClH/c18-12-8-6-11(7-9-12)16-14(10-15(20)21)17(19)23(22-16)13-4-2-1-3-5-13;/h1-9H,10H2,(H3,20,21);1H
InChIKeyQNRBKXFHAABLJN-UHFFFAOYSA-N
MW381.69 g/mol
LogP4.75
Rot. Bonds4

About 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethanimidamide;hydrochloride

2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethanimidamide;hydrochloride (PubChem CID 21418346) has the molecular formula C17H15Cl3N4 and a molecular weight of 381.69 g/mol. Its IUPAC name is 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethanimidamide;hydrochloride
PubChem CID21418346
Molecular FormulaC17H15Cl3N4
Molecular Weight381.69 g/mol
Exact Mass380.04
IUPAC Name2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)Cc1c(-c2ccc(Cl)cc2)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C17H14Cl2N4.ClH/c18-12-8-6-11(7-9-12)16-14(10-15(20)21)17(19)23(22-16)13-4-2-1-3-5-13;/h1-9H,10H2,(H3,20,21);1H
InChIKeyQNRBKXFHAABLJN-UHFFFAOYSA-N
XLogP4.75
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.69
LogP ≤ 54.75
H-Bond Donors ≤ 52
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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Related Compounds

benzyl 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetate
CID 54487147
2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 54421262
ethyl 2-(5-chloro-1,3-diphenylpyrazol-4-yl)acetate
CID 54099322
3-(5-chloro-1,3-diphenylpyrazol-4-yl)propan-1-ol
CID 170887609
3-(4-chlorophenyl)-1-phenylindazole
CID 102190683
5-bromo-3-(4-chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole
CID 10363697
5-chloro-4-methyl-1,3-diphenylpyrazole
CID 104847504
[2-(4-chlorophenyl)-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576220
4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide
CID 25027058
5-amino-N-[4-[[5-amino-3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]amino]phenyl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 139225071
2-phenylethanimidamide
CID 27787
5-chloro-1,3-diphenylpyrazole-4-carbaldehyde
CID 736659

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethanimidamide;hydrochloride?
The IUPAC name of 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethanimidamide;hydrochloride (CID 21418346) is 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethanimidamide;hydrochloride.
What is the SMILES notation for 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethanimidamide;hydrochloride?
The canonical SMILES for 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethanimidamide;hydrochloride is Cl.[H]/N=C(\N)Cc1c(-c2ccc(Cl)cc2)nn(-c2ccccc2)c1Cl.
What is the InChIKey of 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethanimidamide;hydrochloride?
The InChIKey is QNRBKXFHAABLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4.ClH/c18-12-8-6-11(7-9-12)16-14(10-15(20)21)17(19)23(22-16)13-4-2-1-3-5-13;/h1-9H,10H2,(H3,20,21);1H.
What are the key properties of 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethanimidamide;hydrochloride?
2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethanimidamide;hydrochloride has a molecular weight of 381.69 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethanimidamide;hydrochloride is sourced from PubChem (CID 21418346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).