cyclobutyl-[3-[4-[2-(propylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone

C20H27N5O — CID 118739879

IUPACcyclobutyl-[3-[4-[2-(propylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCCCNc1cc(-c2cn[nH]c2C2CCN(C(=O)C3CCC3)C2)ccn1
InChIInChI=1S/C20H27N5O/c1-2-8-21-18-11-15(6-9-22-18)17-12-23-24-19(17)16-7-10-25(13-16)20(26)14-4-3-5-14/h6,9,11-12,14,16H,2-5,7-8,10,13H2,1H3,(H,21,22)(H,23,24)
InChIKeyMLKVWUIRKBOTCQ-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.41
Rot. Bonds6

About cyclobutyl-[3-[4-[2-(propylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone

cyclobutyl-[3-[4-[2-(propylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone (PubChem CID 118739879) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is cyclobutyl-[3-[4-[2-(propylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[3-[4-[2-(propylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
PubChem CID118739879
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Namecyclobutyl-[3-[4-[2-(propylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
SMILESCCCNc1cc(-c2cn[nH]c2C2CCN(C(=O)C3CCC3)C2)ccn1
InChIInChI=1S/C20H27N5O/c1-2-8-21-18-11-15(6-9-22-18)17-12-23-24-19(17)16-7-10-25(13-16)20(26)14-4-3-5-14/h6,9,11-12,14,16H,2-5,7-8,10,13H2,1H3,(H,21,22)(H,23,24)
InChIKeyMLKVWUIRKBOTCQ-UHFFFAOYSA-N
XLogP3.41
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[3-[4-[2-(propylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[3-[4-[2-(propylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone (CID 118739879) is cyclobutyl-[3-[4-[2-(propylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[3-[4-[2-(propylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[3-[4-[2-(propylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone is CCCNc1cc(-c2cn[nH]c2C2CCN(C(=O)C3CCC3)C2)ccn1.
What is the InChIKey of cyclobutyl-[3-[4-[2-(propylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
The InChIKey is MLKVWUIRKBOTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-2-8-21-18-11-15(6-9-22-18)17-12-23-24-19(17)16-7-10-25(13-16)20(26)14-4-3-5-14/h6,9,11-12,14,16H,2-5,7-8,10,13H2,1H3,(H,21,22)(H,23,24).
What are the key properties of cyclobutyl-[3-[4-[2-(propylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone?
cyclobutyl-[3-[4-[2-(propylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[3-[4-[2-(propylamino)-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 118739879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).