2-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-one

C16H25N3O — CID 103002711

IUPAC2-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-one
SMILESCn1cc(CCN2CCCC2C2CCCCC2=O)cn1
InChIInChI=1S/C16H25N3O/c1-18-12-13(11-17-18)8-10-19-9-4-6-15(19)14-5-2-3-7-16(14)20/h11-12,14-15H,2-10H2,1H3
InChIKeyKJLNCTUWBZPZAX-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.19
Rot. Bonds4

About 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-one

2-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 103002711) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID103002711
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-one
SMILESCn1cc(CCN2CCCC2C2CCCCC2=O)cn1
InChIInChI=1S/C16H25N3O/c1-18-12-13(11-17-18)8-10-19-9-4-6-15(19)14-5-2-3-7-16(14)20/h11-12,14-15H,2-10H2,1H3
InChIKeyKJLNCTUWBZPZAX-UHFFFAOYSA-N
XLogP2.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79545951
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79536816
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-2-carboxylic acid
CID 107072171
2-[1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79546696
2-[1-(3-methylbut-3-enyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 114472642
2-[1-(2-methoxyethyl)piperidin-2-yl]cyclohexan-1-one
CID 79553024
2-[1-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79546607
2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 82866936
2-(1-ethylpyrrolidin-2-yl)cyclopentan-1-one
CID 79543714
2-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79549060
2-[1-(2-ethoxyethyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79543479
2-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]cyclopentan-1-one
CID 82888824

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-one (CID 103002711) is 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-one is Cn1cc(CCN2CCCC2C2CCCCC2=O)cn1.
What is the InChIKey of 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is KJLNCTUWBZPZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18-12-13(11-17-18)8-10-19-9-4-6-15(19)14-5-2-3-7-16(14)20/h11-12,14-15H,2-10H2,1H3.
What are the key properties of 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 275.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 103002711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).