(1-methoxycyclopentyl)-(2-phenylpyrazol-3-yl)methanone

C16H18N2O2 — CID 107330230

IUPAC(1-methoxycyclopentyl)-(2-phenylpyrazol-3-yl)methanone
SMILESCOC1(C(=O)c2ccnn2-c2ccccc2)CCCC1
InChIInChI=1S/C16H18N2O2/c1-20-16(10-5-6-11-16)15(19)14-9-12-17-18(14)13-7-3-2-4-8-13/h2-4,7-9,12H,5-6,10-11H2,1H3
InChIKeyDJXWTKNKWQURLB-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.01
Rot. Bonds4

About (1-methoxycyclopentyl)-(2-phenylpyrazol-3-yl)methanone

(1-methoxycyclopentyl)-(2-phenylpyrazol-3-yl)methanone (PubChem CID 107330230) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (1-methoxycyclopentyl)-(2-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(1-methoxycyclopentyl)-(2-phenylpyrazol-3-yl)methanone
PubChem CID107330230
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(1-methoxycyclopentyl)-(2-phenylpyrazol-3-yl)methanone
SMILESCOC1(C(=O)c2ccnn2-c2ccccc2)CCCC1
InChIInChI=1S/C16H18N2O2/c1-20-16(10-5-6-11-16)15(19)14-9-12-17-18(14)13-7-3-2-4-8-13/h2-4,7-9,12H,5-6,10-11H2,1H3
InChIKeyDJXWTKNKWQURLB-UHFFFAOYSA-N
XLogP3.01
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(dimethylamino)cyclopentyl]-(2-phenylpyrazol-3-yl)methanone
CID 107330172
(2-methyloxolan-2-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107330188
(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone
CID 116750647
(4-methylpiperidin-4-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107331635
(1-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone
CID 104610116
(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone
CID 116748199
2-phenylpyrazole-3-carbothioamide
CID 83387115
2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331768
2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331781
2-ethoxy-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107330243
(4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-yl)methanone
CID 114284479
(1-methoxycyclopentyl)-(1-methylimidazol-2-yl)methanone
CID 104610183

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclopentyl)-(2-phenylpyrazol-3-yl)methanone?
The IUPAC name of (1-methoxycyclopentyl)-(2-phenylpyrazol-3-yl)methanone (CID 107330230) is (1-methoxycyclopentyl)-(2-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for (1-methoxycyclopentyl)-(2-phenylpyrazol-3-yl)methanone?
The canonical SMILES for (1-methoxycyclopentyl)-(2-phenylpyrazol-3-yl)methanone is COC1(C(=O)c2ccnn2-c2ccccc2)CCCC1.
What is the InChIKey of (1-methoxycyclopentyl)-(2-phenylpyrazol-3-yl)methanone?
The InChIKey is DJXWTKNKWQURLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-20-16(10-5-6-11-16)15(19)14-9-12-17-18(14)13-7-3-2-4-8-13/h2-4,7-9,12H,5-6,10-11H2,1H3.
What are the key properties of (1-methoxycyclopentyl)-(2-phenylpyrazol-3-yl)methanone?
(1-methoxycyclopentyl)-(2-phenylpyrazol-3-yl)methanone has a molecular weight of 270.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclopentyl)-(2-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 107330230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).