(2,2-dimethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone

C16H26N2O2 — CID 107187571

IUPAC(2,2-dimethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCOc1cnn(C(C)C)c1C(=O)C1CCCCC1(C)C
InChIInChI=1S/C16H26N2O2/c1-11(2)18-14(13(20-5)10-17-18)15(19)12-8-6-7-9-16(12,3)4/h10-12H,6-9H2,1-5H3
InChIKeyJMBCFCWIINIPHI-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.87
Rot. Bonds4

About (2,2-dimethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone

(2,2-dimethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 107187571) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
PubChem CID107187571
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2,2-dimethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCOc1cnn(C(C)C)c1C(=O)C1CCCCC1(C)C
InChIInChI=1S/C16H26N2O2/c1-11(2)18-14(13(20-5)10-17-18)15(19)12-8-6-7-9-16(12,3)4/h10-12H,6-9H2,1-5H3
InChIKeyJMBCFCWIINIPHI-UHFFFAOYSA-N
XLogP3.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640723
(3,3-difluorocyclopentyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114215584
3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
CID 115810604
(3-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640768
2-cyclopropyl-2-hydroxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 103455882
2,3-dihydro-1H-inden-1-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640841
(3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone
CID 107176305
2,2,3,3-tetrafluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
CID 114032582
2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114642156
2-tert-butyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-ol
CID 114633215
2,2-diethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114641410
3,3,3-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one
CID 103311596

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of (2,2-dimethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone (CID 107187571) is (2,2-dimethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone is COc1cnn(C(C)C)c1C(=O)C1CCCCC1(C)C.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is JMBCFCWIINIPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)18-14(13(20-5)10-17-18)15(19)12-8-6-7-9-16(12,3)4/h10-12H,6-9H2,1-5H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
(2,2-dimethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 278.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 107187571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).