2-bicyclo[2.2.1]heptanyl-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone

C17H25N3O — CID 71866032

IUPAC2-bicyclo[2.2.1]heptanyl-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCn1cc(CC2CCN(C(=O)C3CC4CCC3C4)C2)cn1
InChIInChI=1S/C17H25N3O/c1-19-10-14(9-18-19)6-13-4-5-20(11-13)17(21)16-8-12-2-3-15(16)7-12/h9-10,12-13,15-16H,2-8,11H2,1H3
InChIKeyFSAGSNTWLZNYOO-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.25
Rot. Bonds3

About 2-bicyclo[2.2.1]heptanyl-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone

2-bicyclo[2.2.1]heptanyl-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 71866032) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID71866032
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-bicyclo[2.2.1]heptanyl-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCn1cc(CC2CCN(C(=O)C3CC4CCC3C4)C2)cn1
InChIInChI=1S/C17H25N3O/c1-19-10-14(9-18-19)6-13-4-5-20(11-13)17(21)16-8-12-2-3-15(16)7-12/h9-10,12-13,15-16H,2-8,11H2,1H3
InChIKeyFSAGSNTWLZNYOO-UHFFFAOYSA-N
XLogP2.25
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-bicyclo[2.2.1]heptanyl-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 97075513
[2-(2-methylphenyl)cyclopropyl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 71866030
[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 98799655
[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 124735224
[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 100860601
cyclopropyl-[(3S)-3-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 97319161
[2-(3-chlorophenyl)cyclopropyl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 71866034
[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 129422473
2-bicyclo[2.2.1]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263361
(2S)-1-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 136580853
2-(2-chloro-4-hydroxyphenyl)-1-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanone
CID 71914710
2-(2-chloro-4-hydroxyphenyl)-1-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanone
CID 97075547

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone (CID 71866032) is 2-bicyclo[2.2.1]heptanyl-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone is Cn1cc(CC2CCN(C(=O)C3CC4CCC3C4)C2)cn1.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is FSAGSNTWLZNYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19-10-14(9-18-19)6-13-4-5-20(11-13)17(21)16-8-12-2-3-15(16)7-12/h9-10,12-13,15-16H,2-8,11H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
2-bicyclo[2.2.1]heptanyl-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 287.41 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 71866032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).