N-(1-ethylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide

C15H18N4O3 — CID 56730982

IUPACN-(1-ethylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCn1cc(NC(=O)C2CCC(=O)N2Cc2ccco2)cn1
InChIInChI=1S/C15H18N4O3/c1-2-18-9-11(8-16-18)17-15(21)13-5-6-14(20)19(13)10-12-4-3-7-22-12/h3-4,7-9,13H,2,5-6,10H2,1H3,(H,17,21)
InChIKeyDGMKWPHQPOWOTQ-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.63
Rot. Bonds5

About N-(1-ethylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide

N-(1-ethylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 56730982) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID56730982
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-(1-ethylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCn1cc(NC(=O)C2CCC(=O)N2Cc2ccco2)cn1
InChIInChI=1S/C15H18N4O3/c1-2-18-9-11(8-16-18)17-15(21)13-5-6-14(20)19(13)10-12-4-3-7-22-12/h3-4,7-9,13H,2,5-6,10H2,1H3,(H,17,21)
InChIKeyDGMKWPHQPOWOTQ-UHFFFAOYSA-N
XLogP1.63
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 712057
N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 2983956
N-(2-furylmethyl)-2-(4-nitro-1H-pyrazol-1-yl)propanamide
CID 4918403
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]furan-2-carboxamide
CID 6499777
[5-[(4-Nitropyrazol-1-yl)methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 844629
alpha7 Agonists 12q
CID 57340851
alpha7 Agonists 12t
CID 57340877
N-(furan-2-ylmethyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 844754
2-{1-[(5-methyl-2-furyl)methyl]-3-oxopiperazin-2-yl}-N-[3-(1H-pyrazol-1-yl)propyl]acetamide
CID 16189804
N-[(1-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
CID 1224571
4-bromo-1-ethyl-N-(2-furylmethyl)-1H-pyrazole-3-carboxamide
CID 753334
4-[[5-[(3,5-Dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 4770495

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide (CID 56730982) is N-(1-ethylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide is CCn1cc(NC(=O)C2CCC(=O)N2Cc2ccco2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is DGMKWPHQPOWOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-2-18-9-11(8-16-18)17-15(21)13-5-6-14(20)19(13)10-12-4-3-7-22-12/h3-4,7-9,13H,2,5-6,10H2,1H3,(H,17,21).
What are the key properties of N-(1-ethylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
N-(1-ethylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 56730982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).