[5-(pyrazol-1-ylmethyl)furan-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone

C17H16N4O2 — CID 56898948

IUPAC[5-(pyrazol-1-ylmethyl)furan-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone
SMILESO=C(c1ccc(Cn2cccn2)o1)N1CC(c2ccncc2)C1
InChIInChI=1S/C17H16N4O2/c22-17(20-10-14(11-20)13-4-7-18-8-5-13)16-3-2-15(23-16)12-21-9-1-6-19-21/h1-9,14H,10-12H2
InChIKeyCYMCSOJBPPKYLG-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.16
Rot. Bonds4

About [5-(pyrazol-1-ylmethyl)furan-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone

[5-(pyrazol-1-ylmethyl)furan-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone (PubChem CID 56898948) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is [5-(pyrazol-1-ylmethyl)furan-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(pyrazol-1-ylmethyl)furan-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone
PubChem CID56898948
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name[5-(pyrazol-1-ylmethyl)furan-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone
SMILESO=C(c1ccc(Cn2cccn2)o1)N1CC(c2ccncc2)C1
InChIInChI=1S/C17H16N4O2/c22-17(20-10-14(11-20)13-4-7-18-8-5-13)16-3-2-15(23-16)12-21-9-1-6-19-21/h1-9,14H,10-12H2
InChIKeyCYMCSOJBPPKYLG-UHFFFAOYSA-N
XLogP2.16
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 79030798
morpholin-4-yl-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 35762490
[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 62372378
(4-hydroxy-3-methylpiperidin-1-yl)-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 114680093
furan-2-yl-[4-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperazin-1-yl]methanone
CID 35523602
(1-methylimidazol-2-yl)-[(3S)-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]methanone
CID 96578185
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 19327362
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 102738213
[4-(2-phenoxyethyl)piperazin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 72839480
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494
8-acetyl-7-phenyl-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]-1,4,8-triazacycloundecan-5-one
CID 131891166
[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 72905265

Frequently Asked Questions

What is the IUPAC name of [5-(pyrazol-1-ylmethyl)furan-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone?
The IUPAC name of [5-(pyrazol-1-ylmethyl)furan-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone (CID 56898948) is [5-(pyrazol-1-ylmethyl)furan-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone.
What is the SMILES notation for [5-(pyrazol-1-ylmethyl)furan-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone?
The canonical SMILES for [5-(pyrazol-1-ylmethyl)furan-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone is O=C(c1ccc(Cn2cccn2)o1)N1CC(c2ccncc2)C1.
What is the InChIKey of [5-(pyrazol-1-ylmethyl)furan-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone?
The InChIKey is CYMCSOJBPPKYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(20-10-14(11-20)13-4-7-18-8-5-13)16-3-2-15(23-16)12-21-9-1-6-19-21/h1-9,14H,10-12H2.
What are the key properties of [5-(pyrazol-1-ylmethyl)furan-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone?
[5-(pyrazol-1-ylmethyl)furan-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone has a molecular weight of 308.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(pyrazol-1-ylmethyl)furan-2-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone is sourced from PubChem (CID 56898948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).