[5-amino-1-(3-chloro-4-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone

C16H10Cl2FN3O — CID 91871216

IUPAC[5-amino-1-(3-chloro-4-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Cl)cc2)cnn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H10Cl2FN3O/c17-10-3-1-9(2-4-10)15(23)12-8-21-22(16(12)20)11-5-6-14(19)13(18)7-11/h1-8H,20H2
InChIKeyKXJGGVCNFQUFJY-UHFFFAOYSA-N
MW350.18 g/mol
LogP4.13
Rot. Bonds3

About [5-amino-1-(3-chloro-4-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone

[5-amino-1-(3-chloro-4-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone (PubChem CID 91871216) has the molecular formula C16H10Cl2FN3O and a molecular weight of 350.18 g/mol. Its IUPAC name is [5-amino-1-(3-chloro-4-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[5-amino-1-(3-chloro-4-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone
PubChem CID91871216
Molecular FormulaC16H10Cl2FN3O
Molecular Weight350.18 g/mol
Exact Mass349.02
IUPAC Name[5-amino-1-(3-chloro-4-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Cl)cc2)cnn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H10Cl2FN3O/c17-10-3-1-9(2-4-10)15(23)12-8-21-22(16(12)20)11-5-6-14(19)13(18)7-11/h1-8H,20H2
InChIKeyKXJGGVCNFQUFJY-UHFFFAOYSA-N
XLogP4.13
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone
CID 3639099
[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone
CID 91871204
5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxamide
CID 83241101
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-methylphenyl)methanone
CID 73012259
5-amino-1-(3-chloro-4-methylphenyl)pyrazole-4-carboxylic acid
CID 79018726
ethyl 5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxylate
CID 79150341
ethyl 1-(3-chloro-4-fluorophenyl)-5-methylpyrazole-4-carboxylate
CID 83401193
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-aminophenyl)methanone
CID 22262810
5-(5-amino-4-carbamoylpyrazol-1-yl)-2-chlorobenzoate
CID 2414021
N-[1-(3-chloro-4-fluorophenyl)-4-cyanopyrazol-5-yl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91372565
5-amino-1-(3-chloro-4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid
CID 82590028
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-pyridin-4-ylphenyl)methanone
CID 11624640

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(3-chloro-4-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [5-amino-1-(3-chloro-4-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone (CID 91871216) is [5-amino-1-(3-chloro-4-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [5-amino-1-(3-chloro-4-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [5-amino-1-(3-chloro-4-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone is Nc1c(C(=O)c2ccc(Cl)cc2)cnn1-c1ccc(F)c(Cl)c1.
What is the InChIKey of [5-amino-1-(3-chloro-4-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone?
The InChIKey is KXJGGVCNFQUFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FN3O/c17-10-3-1-9(2-4-10)15(23)12-8-21-22(16(12)20)11-5-6-14(19)13(18)7-11/h1-8H,20H2.
What are the key properties of [5-amino-1-(3-chloro-4-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone?
[5-amino-1-(3-chloro-4-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone has a molecular weight of 350.18 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(3-chloro-4-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 91871216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).