1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyrrolidin-2-one

C16H17N5O2 — CID 56869324

IUPAC1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCn1ccnc1-c1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C16H17N5O2/c22-15-2-1-8-20(15)10-11-21-9-7-17-16(21)14-4-3-13(23-14)12-5-6-18-19-12/h3-7,9H,1-2,8,10-11H2,(H,18,19)
InChIKeyLKCMZRODVJRWOR-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.16
Rot. Bonds5

About 1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyrrolidin-2-one

1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 56869324) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyrrolidin-2-one
PubChem CID56869324
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCn1ccnc1-c1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C16H17N5O2/c22-15-2-1-8-20(15)10-11-21-9-7-17-16(21)14-4-3-13(23-14)12-5-6-18-19-12/h3-7,9H,1-2,8,10-11H2,(H,18,19)
InChIKeyLKCMZRODVJRWOR-UHFFFAOYSA-N
XLogP2.16
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidine-4-carboxamide, 119
CID 44520983
Pyrimidine-4-carboxamide, 120
CID 44520984
Pyrimidine-4-carboxamide, 121
CID 44520985
(2S)-1-[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-piperidin-3-ylpyrrolidine-2-carboxamide
CID 57680654
5-[(2-isopropyl-1H-imidazol-1-yl)methyl]-N-[(5-methyl-2-furyl)methyl]-1H-pyrazole-3-carboxamide
CID 42290712
5-[(2-isopropyl-1H-imidazol-1-yl)methyl]-N-methyl-N-[(5-methyl-2-furyl)methyl]-1H-pyrazole-3-carboxamide
CID 42291011
5-ethyl-2-methyl-4-(4-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}piperazin-1-yl)pyrimidine
CID 50956467
5-fluoro-2-(4-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}piperazin-1-yl)pyrimidine
CID 50981346
2,5-dimethyl-3-(4-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}piperazin-1-yl)pyrazine
CID 50982414
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-5-[(2-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 56749917
4-N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 118741268
4-(2-methyl-1H-imidazol-1-yl)-1-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}piperidine-4-carboxylic acid
CID 56889669

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyrrolidin-2-one (CID 56869324) is 1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCn1ccnc1-c1ccc(-c2ccn[nH]2)o1.
What is the InChIKey of 1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is LKCMZRODVJRWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c22-15-2-1-8-20(15)10-11-21-9-7-17-16(21)14-4-3-13(23-14)12-5-6-18-19-12/h3-7,9H,1-2,8,10-11H2,(H,18,19).
What are the key properties of 1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyrrolidin-2-one?
1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 311.35 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 56869324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).