2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboximidamide;hydrochloride

C16H16Cl2N4 — CID 68690910

IUPAC2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C1=NN(c2ccc(Cl)cc2)C(c2ccccc2)C1
InChIInChI=1S/C16H15ClN4.ClH/c17-12-6-8-13(9-7-12)21-15(10-14(20-21)16(18)19)11-4-2-1-3-5-11;/h1-9,15H,10H2,(H3,18,19);1H
InChIKeyFGRMYBAHQVAXAW-UHFFFAOYSA-N
MW335.24 g/mol
LogP4.01
Rot. Bonds3

About 2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboximidamide;hydrochloride

2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboximidamide;hydrochloride (PubChem CID 68690910) has the molecular formula C16H16Cl2N4 and a molecular weight of 335.24 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboximidamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboximidamide;hydrochloride
PubChem CID68690910
Molecular FormulaC16H16Cl2N4
Molecular Weight335.24 g/mol
Exact Mass334.08
IUPAC Name2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C1=NN(c2ccc(Cl)cc2)C(c2ccccc2)C1
InChIInChI=1S/C16H15ClN4.ClH/c17-12-6-8-13(9-7-12)21-15(10-14(20-21)16(18)19)11-4-2-1-3-5-11;/h1-9,15H,10H2,(H3,18,19);1H
InChIKeyFGRMYBAHQVAXAW-UHFFFAOYSA-N
XLogP4.01
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.01
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

(3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95656986
2-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide
CID 68692319
sodium 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 24844262
ethyl 2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole-5-carboxylate
CID 19908446
(3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole
CID 102160984
(3S)-2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95657115
(3R)-2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95657116
methyl N'-[C-[2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]-N-naphthalen-2-ylsulfonylcarbonimidoyl]carbamimidothioate
CID 123837474
(3S)-3-phenyl-2-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-5-carboxylic acid
CID 95657133
4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135591660
2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole
CID 135029399
(3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 38013267

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboximidamide;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboximidamide;hydrochloride (CID 68690910) is 2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboximidamide;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboximidamide;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)C1=NN(c2ccc(Cl)cc2)C(c2ccccc2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboximidamide;hydrochloride?
The InChIKey is FGRMYBAHQVAXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4.ClH/c17-12-6-8-13(9-7-12)21-15(10-14(20-21)16(18)19)11-4-2-1-3-5-11;/h1-9,15H,10H2,(H3,18,19);1H.
What are the key properties of 2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboximidamide;hydrochloride?
2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboximidamide;hydrochloride has a molecular weight of 335.24 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboximidamide;hydrochloride is sourced from PubChem (CID 68690910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).