N,4-bis(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine

C16H11Cl2F2N3 — CID 71682989

IUPACN,4-bis(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc(F)cc2Cl)c1Nc1ccc(F)cc1Cl
InChIInChI=1S/C16H11Cl2F2N3/c1-23-16(22-15-5-3-10(20)7-14(15)18)12(8-21-23)11-4-2-9(19)6-13(11)17/h2-8,22H,1H3
InChIKeyOBXOLSPWNWSCHX-UHFFFAOYSA-N
MW354.19 g/mol
LogP5.42
Rot. Bonds3

About N,4-bis(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine

N,4-bis(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 71682989) has the molecular formula C16H11Cl2F2N3 and a molecular weight of 354.19 g/mol. Its IUPAC name is N,4-bis(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound NameN,4-bis(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
PubChem CID71682989
Molecular FormulaC16H11Cl2F2N3
Molecular Weight354.19 g/mol
Exact Mass353.03
IUPAC NameN,4-bis(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc(F)cc2Cl)c1Nc1ccc(F)cc1Cl
InChIInChI=1S/C16H11Cl2F2N3/c1-23-16(22-15-5-3-10(20)7-14(15)18)12(8-21-23)11-4-2-9(19)6-13(11)17/h2-8,22H,1H3
InChIKeyOBXOLSPWNWSCHX-UHFFFAOYSA-N
XLogP5.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.19
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-4-phenyl-1H-pyrazol-5-ylamine
CID 3717260
4-(4-chlorophenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2743446
4-(3-Chlorophenyl)-2-phenylpyrazol-3-amine
CID 3569800
N-(2,4-dichlorophenyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide
CID 1473146
4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 2764858
1-[6-(2,4-dichlorobenzyl)-3-pyridazinyl]-4-(4-fluorophenyl)-1H-pyrazol-5-amine
CID 2766455
4-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 3345844
4-(4-chlorophenyl)-1-[3,5-di(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 2743448
4-(4-chlorophenyl)-N,N-dimethyl-5-phenyl-1-propan-2-yl-4H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 16349687
5-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-imine
CID 9583827
1-(3-chloro-4-fluorophenyl)-3-[1-(2,4-dichlorobenzyl)-1H-pyrazol-3-yl]thiourea
CID 1296727
1-[4-chloro-1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-3-(2-phenylethyl)thiourea
CID 2171696

Frequently Asked Questions

What is the IUPAC name of N,4-bis(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of N,4-bis(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine (CID 71682989) is N,4-bis(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for N,4-bis(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for N,4-bis(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine is Cn1ncc(-c2ccc(F)cc2Cl)c1Nc1ccc(F)cc1Cl.
What is the InChIKey of N,4-bis(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is OBXOLSPWNWSCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F2N3/c1-23-16(22-15-5-3-10(20)7-14(15)18)12(8-21-23)11-4-2-9(19)6-13(11)17/h2-8,22H,1H3.
What are the key properties of N,4-bis(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine?
N,4-bis(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 354.19 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 71682989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).