4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole

C16H19ClN2 — CID 63433194

IUPAC4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole
SMILESClC(CC1CCCC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H19ClN2/c17-16(10-13-6-4-5-7-13)14-11-18-19(12-14)15-8-2-1-3-9-15/h1-3,8-9,11-13,16H,4-7,10H2
InChIKeyRYQNDDKYARFXBE-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.73
Rot. Bonds4

About 4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole

4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole (PubChem CID 63433194) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole.

Molecular Properties

Compound Name4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole
PubChem CID63433194
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole
SMILESClC(CC1CCCC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H19ClN2/c17-16(10-13-6-4-5-7-13)14-11-18-19(12-14)15-8-2-1-3-9-15/h1-3,8-9,11-13,16H,4-7,10H2
InChIKeyRYQNDDKYARFXBE-UHFFFAOYSA-N
XLogP4.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 114457498
2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105151678
(1-chloro-2-cyclopentylethyl)benzene
CID 63428897
cyclohexyl-(1-phenylpyrazol-4-yl)methanol
CID 61088953
[cyclohexyl-(1-phenylpyrazol-4-yl)methyl]hydrazine
CID 105282022
4-(1-chloro-3-methylbutyl)-1-phenylpyrazole
CID 61085631
3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486019
4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole
CID 61096953
2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol
CID 65150583
2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105138644
4-[bromo(cyclopropyl)methyl]-1-phenylpyrazole
CID 61095952
(1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine
CID 81473468

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole?
The IUPAC name of 4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole (CID 63433194) is 4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole.
What is the SMILES notation for 4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole?
The canonical SMILES for 4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole is ClC(CC1CCCC1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole?
The InChIKey is RYQNDDKYARFXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c17-16(10-13-6-4-5-7-13)14-11-18-19(12-14)15-8-2-1-3-9-15/h1-3,8-9,11-13,16H,4-7,10H2.
What are the key properties of 4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole?
4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole has a molecular weight of 274.80 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole is sourced from PubChem (CID 63433194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).