5-[2-(4-chloro-1H-pyrazol-5-yl)propyl]-4-fluoro-3-propan-2-yl-1H-pyrazole

C12H16ClFN4 — CID 167111767

IUPAC5-[2-(4-chloro-1H-pyrazol-5-yl)propyl]-4-fluoro-3-propan-2-yl-1H-pyrazole
SMILESCC(C)c1n[nH]c(CC(C)c2[nH]ncc2Cl)c1F
InChIInChI=1S/C12H16ClFN4/c1-6(2)11-10(14)9(16-18-11)4-7(3)12-8(13)5-15-17-12/h5-7H,4H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyZVDILGWSBJHLDQ-UHFFFAOYSA-N
MW270.74 g/mol
LogP3.39
Rot. Bonds4

About 5-[2-(4-chloro-1H-pyrazol-5-yl)propyl]-4-fluoro-3-propan-2-yl-1H-pyrazole

5-[2-(4-chloro-1H-pyrazol-5-yl)propyl]-4-fluoro-3-propan-2-yl-1H-pyrazole (PubChem CID 167111767) has the molecular formula C12H16ClFN4 and a molecular weight of 270.74 g/mol. Its IUPAC name is 5-[2-(4-chloro-1H-pyrazol-5-yl)propyl]-4-fluoro-3-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-[2-(4-chloro-1H-pyrazol-5-yl)propyl]-4-fluoro-3-propan-2-yl-1H-pyrazole
PubChem CID167111767
Molecular FormulaC12H16ClFN4
Molecular Weight270.74 g/mol
Exact Mass270.10
IUPAC Name5-[2-(4-chloro-1H-pyrazol-5-yl)propyl]-4-fluoro-3-propan-2-yl-1H-pyrazole
SMILESCC(C)c1n[nH]c(CC(C)c2[nH]ncc2Cl)c1F
InChIInChI=1S/C12H16ClFN4/c1-6(2)11-10(14)9(16-18-11)4-7(3)12-8(13)5-15-17-12/h5-7H,4H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyZVDILGWSBJHLDQ-UHFFFAOYSA-N
XLogP3.39
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chloro-1H-pyrazol-5-yl)propyl]-4-fluoro-3-propan-2-yl-1H-pyrazole?
The IUPAC name of 5-[2-(4-chloro-1H-pyrazol-5-yl)propyl]-4-fluoro-3-propan-2-yl-1H-pyrazole (CID 167111767) is 5-[2-(4-chloro-1H-pyrazol-5-yl)propyl]-4-fluoro-3-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 5-[2-(4-chloro-1H-pyrazol-5-yl)propyl]-4-fluoro-3-propan-2-yl-1H-pyrazole?
The canonical SMILES for 5-[2-(4-chloro-1H-pyrazol-5-yl)propyl]-4-fluoro-3-propan-2-yl-1H-pyrazole is CC(C)c1n[nH]c(CC(C)c2[nH]ncc2Cl)c1F.
What is the InChIKey of 5-[2-(4-chloro-1H-pyrazol-5-yl)propyl]-4-fluoro-3-propan-2-yl-1H-pyrazole?
The InChIKey is ZVDILGWSBJHLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN4/c1-6(2)11-10(14)9(16-18-11)4-7(3)12-8(13)5-15-17-12/h5-7H,4H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 5-[2-(4-chloro-1H-pyrazol-5-yl)propyl]-4-fluoro-3-propan-2-yl-1H-pyrazole?
5-[2-(4-chloro-1H-pyrazol-5-yl)propyl]-4-fluoro-3-propan-2-yl-1H-pyrazole has a molecular weight of 270.74 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chloro-1H-pyrazol-5-yl)propyl]-4-fluoro-3-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 167111767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).