5-(3-chloro-2-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine

C13H15ClFN3 — CID 81266292

IUPAC5-(3-chloro-2-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCC(C)Cc1c(N)n[nH]c1-c1cccc(Cl)c1F
InChIInChI=1S/C13H15ClFN3/c1-7(2)6-9-12(17-18-13(9)16)8-4-3-5-10(14)11(8)15/h3-5,7H,6H2,1-2H3,(H3,16,17,18)
InChIKeyQOJFUDMKPMIFGN-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.65
Rot. Bonds3

About 5-(3-chloro-2-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine

5-(3-chloro-2-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine (PubChem CID 81266292) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 5-(3-chloro-2-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-2-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
PubChem CID81266292
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name5-(3-chloro-2-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
SMILESCC(C)Cc1c(N)n[nH]c1-c1cccc(Cl)c1F
InChIInChI=1S/C13H15ClFN3/c1-7(2)6-9-12(17-18-13(9)16)8-4-3-5-10(14)11(8)15/h3-5,7H,6H2,1-2H3,(H3,16,17,18)
InChIKeyQOJFUDMKPMIFGN-UHFFFAOYSA-N
XLogP3.65
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylpropyl)-5-quinolin-8-yl-1H-pyrazol-3-amine
CID 62876222
5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 81266285
4-(3-chloro-2-fluorophenyl)-5-(2-methylbutyl)-1H-pyrazol-3-amine
CID 114875056
5-(2,3-dichlorophenyl)-4-ethyl-1H-pyrazol-3-amine
CID 43670697
5-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 63210575
4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
CID 103118931
4-(3-chloro-2-fluorophenyl)-5-(3-methylphenyl)-1H-pyrazol-3-amine
CID 82788631
4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 82802668
4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine
CID 82788626
4-(3-chloro-2-fluorophenyl)-5-(furan-2-yl)-1H-pyrazol-3-amine
CID 82803460
4-(3-chloro-2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 82802446
5-(2-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-3-amine
CID 81477955

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-chloro-2-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine (CID 81266292) is 5-(3-chloro-2-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-chloro-2-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-chloro-2-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine is CC(C)Cc1c(N)n[nH]c1-c1cccc(Cl)c1F.
What is the InChIKey of 5-(3-chloro-2-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine?
The InChIKey is QOJFUDMKPMIFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-7(2)6-9-12(17-18-13(9)16)8-4-3-5-10(14)11(8)15/h3-5,7H,6H2,1-2H3,(H3,16,17,18).
What are the key properties of 5-(3-chloro-2-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine?
5-(3-chloro-2-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine has a molecular weight of 267.74 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 81266292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).