4-bromo-1-(cyclopropylmethyl)-5-(4-fluorophenyl)-3-methylpyrazole

C14H14BrFN2 — CID 59281489

IUPAC4-bromo-1-(cyclopropylmethyl)-5-(4-fluorophenyl)-3-methylpyrazole
SMILESCc1nn(CC2CC2)c(-c2ccc(F)cc2)c1Br
InChIInChI=1S/C14H14BrFN2/c1-9-13(15)14(11-4-6-12(16)7-5-11)18(17-9)8-10-2-3-10/h4-7,10H,2-3,8H2,1H3
InChIKeyDXFRICNBORXWRE-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.17
Rot. Bonds3

About 4-bromo-1-(cyclopropylmethyl)-5-(4-fluorophenyl)-3-methylpyrazole

4-bromo-1-(cyclopropylmethyl)-5-(4-fluorophenyl)-3-methylpyrazole (PubChem CID 59281489) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 4-bromo-1-(cyclopropylmethyl)-5-(4-fluorophenyl)-3-methylpyrazole.

Molecular Properties

Compound Name4-bromo-1-(cyclopropylmethyl)-5-(4-fluorophenyl)-3-methylpyrazole
PubChem CID59281489
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name4-bromo-1-(cyclopropylmethyl)-5-(4-fluorophenyl)-3-methylpyrazole
SMILESCc1nn(CC2CC2)c(-c2ccc(F)cc2)c1Br
InChIInChI=1S/C14H14BrFN2/c1-9-13(15)14(11-4-6-12(16)7-5-11)18(17-9)8-10-2-3-10/h4-7,10H,2-3,8H2,1H3
InChIKeyDXFRICNBORXWRE-UHFFFAOYSA-N
XLogP4.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(cyclopropylmethyl)-5-(4-fluorophenyl)-3-methylpyrazole?
The IUPAC name of 4-bromo-1-(cyclopropylmethyl)-5-(4-fluorophenyl)-3-methylpyrazole (CID 59281489) is 4-bromo-1-(cyclopropylmethyl)-5-(4-fluorophenyl)-3-methylpyrazole.
What is the SMILES notation for 4-bromo-1-(cyclopropylmethyl)-5-(4-fluorophenyl)-3-methylpyrazole?
The canonical SMILES for 4-bromo-1-(cyclopropylmethyl)-5-(4-fluorophenyl)-3-methylpyrazole is Cc1nn(CC2CC2)c(-c2ccc(F)cc2)c1Br.
What is the InChIKey of 4-bromo-1-(cyclopropylmethyl)-5-(4-fluorophenyl)-3-methylpyrazole?
The InChIKey is DXFRICNBORXWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-9-13(15)14(11-4-6-12(16)7-5-11)18(17-9)8-10-2-3-10/h4-7,10H,2-3,8H2,1H3.
What are the key properties of 4-bromo-1-(cyclopropylmethyl)-5-(4-fluorophenyl)-3-methylpyrazole?
4-bromo-1-(cyclopropylmethyl)-5-(4-fluorophenyl)-3-methylpyrazole has a molecular weight of 309.18 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(cyclopropylmethyl)-5-(4-fluorophenyl)-3-methylpyrazole is sourced from PubChem (CID 59281489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).