(4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone

C12H10Cl3N3O — CID 114671121

IUPAC(4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C12H10Cl3N3O/c1-2-18-11(9(15)5-17-18)12(19)6-3-7(13)10(16)8(14)4-6/h3-5H,2,16H2,1H3
InChIKeyMDAUBVZTHDCLOB-UHFFFAOYSA-N
MW318.59 g/mol
LogP3.68
Rot. Bonds3

About (4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone

(4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone (PubChem CID 114671121) has the molecular formula C12H10Cl3N3O and a molecular weight of 318.59 g/mol. Its IUPAC name is (4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
PubChem CID114671121
Molecular FormulaC12H10Cl3N3O
Molecular Weight318.59 g/mol
Exact Mass316.99
IUPAC Name(4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C12H10Cl3N3O/c1-2-18-11(9(15)5-17-18)12(19)6-3-7(13)10(16)8(14)4-6/h3-5H,2,16H2,1H3
InChIKeyMDAUBVZTHDCLOB-UHFFFAOYSA-N
XLogP3.68
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.59
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-5-bromophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114670517
(4-aminophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114668108
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone
CID 54068469
(4-amino-3,5-dichlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 114671119
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 105130314
(4-chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 57229861
(4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone
CID 114639545
(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107967804
(4-amino-3,5-dichlorophenyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114671126
[2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114642238
(3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107944773
(4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone
CID 114019163

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone?
The IUPAC name of (4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone (CID 114671121) is (4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone.
What is the SMILES notation for (4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone?
The canonical SMILES for (4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone is CCn1ncc(Cl)c1C(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of (4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone?
The InChIKey is MDAUBVZTHDCLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3N3O/c1-2-18-11(9(15)5-17-18)12(19)6-3-7(13)10(16)8(14)4-6/h3-5H,2,16H2,1H3.
What are the key properties of (4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone?
(4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone has a molecular weight of 318.59 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone is sourced from PubChem (CID 114671121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).