[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone

C16H11ClFN3O — CID 91871204

IUPAC[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Cl)cc2)cnn1-c1ccccc1F
InChIInChI=1S/C16H11ClFN3O/c17-11-7-5-10(6-8-11)15(22)12-9-20-21(16(12)19)14-4-2-1-3-13(14)18/h1-9H,19H2
InChIKeyNPSBZYGJCMSDRB-UHFFFAOYSA-N
MW315.74 g/mol
LogP3.48
Rot. Bonds3

About [5-amino-1-(2-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone

[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone (PubChem CID 91871204) has the molecular formula C16H11ClFN3O and a molecular weight of 315.74 g/mol. Its IUPAC name is [5-amino-1-(2-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone
PubChem CID91871204
Molecular FormulaC16H11ClFN3O
Molecular Weight315.74 g/mol
Exact Mass315.06
IUPAC Name[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Cl)cc2)cnn1-c1ccccc1F
InChIInChI=1S/C16H11ClFN3O/c17-11-7-5-10(6-8-11)15(22)12-9-20-21(16(12)19)14-4-2-1-3-13(14)18/h1-9H,19H2
InChIKeyNPSBZYGJCMSDRB-UHFFFAOYSA-N
XLogP3.48
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-amino-1-(3-chloro-4-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone
CID 91871216
[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone
CID 3639099
5-amino-1-(2-fluorophenyl)pyrazole-4-carbaldehyde
CID 46197465
5-amino-N-(cyclopropylmethyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 166285161
3-(5-amino-4-benzoylpyrazol-1-yl)-4-methylbenzamide
CID 148806956
5-amino-1-(2-fluorophenyl)pyrazole-4-carbonitrile
CID 15698846
5-(chloromethyl)-1-(2-fluorophenyl)pyrazole-4-carboxylic acid
CID 164580458
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-methylphenyl)methanone
CID 73012259
5-amino-1-(2-fluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 59735130
4-chloro-1-(2-fluorophenyl)pyrazole-5-carboxylic acid
CID 83868932
5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 122640442
3-[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]propan-1-ol
CID 63376503

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [5-amino-1-(2-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone (CID 91871204) is [5-amino-1-(2-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [5-amino-1-(2-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [5-amino-1-(2-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone is Nc1c(C(=O)c2ccc(Cl)cc2)cnn1-c1ccccc1F.
What is the InChIKey of [5-amino-1-(2-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone?
The InChIKey is NPSBZYGJCMSDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O/c17-11-7-5-10(6-8-11)15(22)12-9-20-21(16(12)19)14-4-2-1-3-13(14)18/h1-9H,19H2.
What are the key properties of [5-amino-1-(2-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone?
[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone has a molecular weight of 315.74 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 91871204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).