3-fluoro-4-(3-fluoroprop-2-enyl)-5-pentyl-1H-pyrazole

C11H16F2N2 — CID 175581013

IUPAC3-fluoro-4-(3-fluoroprop-2-enyl)-5-pentyl-1H-pyrazole
SMILESCCCCCc1[nH]nc(F)c1CC=CF
InChIInChI=1S/C11H16F2N2/c1-2-3-4-7-10-9(6-5-8-12)11(13)15-14-10/h5,8H,2-4,6-7H2,1H3,(H,14,15)
InChIKeyXCNSTQRPXTZYCQ-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.31
Rot. Bonds6

About 3-fluoro-4-(3-fluoroprop-2-enyl)-5-pentyl-1H-pyrazole

3-fluoro-4-(3-fluoroprop-2-enyl)-5-pentyl-1H-pyrazole (PubChem CID 175581013) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-fluoro-4-(3-fluoroprop-2-enyl)-5-pentyl-1H-pyrazole.

Molecular Properties

Compound Name3-fluoro-4-(3-fluoroprop-2-enyl)-5-pentyl-1H-pyrazole
PubChem CID175581013
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-fluoro-4-(3-fluoroprop-2-enyl)-5-pentyl-1H-pyrazole
SMILESCCCCCc1[nH]nc(F)c1CC=CF
InChIInChI=1S/C11H16F2N2/c1-2-3-4-7-10-9(6-5-8-12)11(13)15-14-10/h5,8H,2-4,6-7H2,1H3,(H,14,15)
InChIKeyXCNSTQRPXTZYCQ-UHFFFAOYSA-N
XLogP3.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 139676561
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CID 79405601
4-fluoro-5-nonyl-1H-pyrazole-3-carboxylic acid
CID 68851725
5-butyl-4-ethyl-1H-pyrazol-3-amine
CID 43670647
5-pentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine
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5-butyl-4-ethyl-3-propan-2-yl-1H-pyrazole
CID 123805633
2-(3-amino-5-pentyl-1H-pyrazol-4-yl)-N,N-diethylacetamide
CID 69009830
4-pentyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 70630474
4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine
CID 63525723
(E)-1-fluoroheptadec-1-ene
CID 13058128
4,5-dipentyl-1H-pyrazole
CID 66669086

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-fluoroprop-2-enyl)-5-pentyl-1H-pyrazole?
The IUPAC name of 3-fluoro-4-(3-fluoroprop-2-enyl)-5-pentyl-1H-pyrazole (CID 175581013) is 3-fluoro-4-(3-fluoroprop-2-enyl)-5-pentyl-1H-pyrazole.
What is the SMILES notation for 3-fluoro-4-(3-fluoroprop-2-enyl)-5-pentyl-1H-pyrazole?
The canonical SMILES for 3-fluoro-4-(3-fluoroprop-2-enyl)-5-pentyl-1H-pyrazole is CCCCCc1[nH]nc(F)c1CC=CF.
What is the InChIKey of 3-fluoro-4-(3-fluoroprop-2-enyl)-5-pentyl-1H-pyrazole?
The InChIKey is XCNSTQRPXTZYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-2-3-4-7-10-9(6-5-8-12)11(13)15-14-10/h5,8H,2-4,6-7H2,1H3,(H,14,15).
What are the key properties of 3-fluoro-4-(3-fluoroprop-2-enyl)-5-pentyl-1H-pyrazole?
3-fluoro-4-(3-fluoroprop-2-enyl)-5-pentyl-1H-pyrazole has a molecular weight of 214.26 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-fluoroprop-2-enyl)-5-pentyl-1H-pyrazole is sourced from PubChem (CID 175581013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).