(4-amino-3-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone

C13H13ClFN3O — CID 114667997

IUPAC(4-amino-3-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C13H13ClFN3O/c1-2-5-18-12(9(14)7-17-18)13(19)8-3-4-11(16)10(15)6-8/h3-4,6-7H,2,5,16H2,1H3
InChIKeyPYOSLQKTTCKVFU-UHFFFAOYSA-N
MW281.72 g/mol
LogP2.90
Rot. Bonds4

About (4-amino-3-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone

(4-amino-3-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone (PubChem CID 114667997) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is (4-amino-3-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
PubChem CID114667997
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name(4-amino-3-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C13H13ClFN3O/c1-2-5-18-12(9(14)7-17-18)13(19)8-3-4-11(16)10(15)6-8/h3-4,6-7H,2,5,16H2,1H3
InChIKeyPYOSLQKTTCKVFU-UHFFFAOYSA-N
XLogP2.90
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 52.90
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

(4-amino-3-bromophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669787
(4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone
CID 114639545
(4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone
CID 114639191
(4-amino-3-chlorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114669775
(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanone
CID 106754783
(4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115805703
(4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone
CID 114640551
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114642895
(3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107944773
(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanone
CID 105130996
(4-aminophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114668108
(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107996709

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
The IUPAC name of (4-amino-3-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone (CID 114667997) is (4-amino-3-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone.
What is the SMILES notation for (4-amino-3-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
The canonical SMILES for (4-amino-3-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone is CCCn1ncc(Cl)c1C(=O)c1ccc(N)c(F)c1.
What is the InChIKey of (4-amino-3-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
The InChIKey is PYOSLQKTTCKVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-2-5-18-12(9(14)7-17-18)13(19)8-3-4-11(16)10(15)6-8/h3-4,6-7H,2,5,16H2,1H3.
What are the key properties of (4-amino-3-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
(4-amino-3-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone has a molecular weight of 281.72 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 114667997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).