potassium (1-cyclopentylpyrazol-3-yl)methyl-trifluoroboranuide

C9H13BF3KN2 — CID 64779762

IUPACpotassium (1-cyclopentylpyrazol-3-yl)methyl-trifluoroboranuide
SMILESF[B-](F)(F)Cc1ccn(C2CCCC2)n1.[K+]
InChIInChI=1S/C9H13BF3N2.K/c11-10(12,13)7-8-5-6-15(14-8)9-3-1-2-4-9;/h5-6,9H,1-4,7H2;/q-1;+1
InChIKeyLUCWAIPVEHJFHO-UHFFFAOYSA-N
MW256.12 g/mol
LogP-0.07
Rot. Bonds3

About potassium (1-cyclopentylpyrazol-3-yl)methyl-trifluoroboranuide

potassium (1-cyclopentylpyrazol-3-yl)methyl-trifluoroboranuide (PubChem CID 64779762) has the molecular formula C9H13BF3KN2 and a molecular weight of 256.12 g/mol. Its IUPAC name is potassium (1-cyclopentylpyrazol-3-yl)methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (1-cyclopentylpyrazol-3-yl)methyl-trifluoroboranuide
PubChem CID64779762
Molecular FormulaC9H13BF3KN2
Molecular Weight256.12 g/mol
Exact Mass256.08
IUPAC Namepotassium (1-cyclopentylpyrazol-3-yl)methyl-trifluoroboranuide
SMILESF[B-](F)(F)Cc1ccn(C2CCCC2)n1.[K+]
InChIInChI=1S/C9H13BF3N2.K/c11-10(12,13)7-8-5-6-15(14-8)9-3-1-2-4-9;/h5-6,9H,1-4,7H2;/q-1;+1
InChIKeyLUCWAIPVEHJFHO-UHFFFAOYSA-N
XLogP-0.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-ethylpyrazole
CID 66014335
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613
3-(1-cyclohexylpyrazol-3-yl)propan-1-ol
CID 64778700
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
3-(3-bromo-2,2-dimethylpropyl)-1-cyclohexylpyrazole
CID 66050139
4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one
CID 83261545
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
3-[(2-bromocycloheptyl)methyl]-1-cyclopentylpyrazole
CID 64778454
1-cyclopentyl-3-(3,3,3-trifluoropropoxymethyl)pyrazole
CID 122171879
1-(1-cyclopentylpyrazol-3-yl)-4,4,4-trifluorobutan-2-amine
CID 64777428

Frequently Asked Questions

What is the IUPAC name of potassium (1-cyclopentylpyrazol-3-yl)methyl-trifluoroboranuide?
The IUPAC name of potassium (1-cyclopentylpyrazol-3-yl)methyl-trifluoroboranuide (CID 64779762) is potassium (1-cyclopentylpyrazol-3-yl)methyl-trifluoroboranuide.
What is the SMILES notation for potassium (1-cyclopentylpyrazol-3-yl)methyl-trifluoroboranuide?
The canonical SMILES for potassium (1-cyclopentylpyrazol-3-yl)methyl-trifluoroboranuide is F[B-](F)(F)Cc1ccn(C2CCCC2)n1.[K+].
What is the InChIKey of potassium (1-cyclopentylpyrazol-3-yl)methyl-trifluoroboranuide?
The InChIKey is LUCWAIPVEHJFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BF3N2.K/c11-10(12,13)7-8-5-6-15(14-8)9-3-1-2-4-9;/h5-6,9H,1-4,7H2;/q-1;+1.
What are the key properties of potassium (1-cyclopentylpyrazol-3-yl)methyl-trifluoroboranuide?
potassium (1-cyclopentylpyrazol-3-yl)methyl-trifluoroboranuide has a molecular weight of 256.12 g/mol, XLogP of -0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (1-cyclopentylpyrazol-3-yl)methyl-trifluoroboranuide is sourced from PubChem (CID 64779762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).