N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

C18H23N5O2 — CID 56801209

IUPACN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCn1cc(C2CCCN2CC(=O)N(CCC#N)Cc2ccco2)cn1
InChIInChI=1S/C18H23N5O2/c1-21-12-15(11-20-21)17-6-2-8-22(17)14-18(24)23(9-4-7-19)13-16-5-3-10-25-16/h3,5,10-12,17H,2,4,6,8-9,13-14H2,1H3
InChIKeyGLCJSEFFILNQGB-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.09
Rot. Bonds7

About N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (PubChem CID 56801209) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
PubChem CID56801209
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCn1cc(C2CCCN2CC(=O)N(CCC#N)Cc2ccco2)cn1
InChIInChI=1S/C18H23N5O2/c1-21-12-15(11-20-21)17-6-2-8-22(17)14-18(24)23(9-4-7-19)13-16-5-3-10-25-16/h3,5,10-12,17H,2,4,6,8-9,13-14H2,1H3
InChIKeyGLCJSEFFILNQGB-UHFFFAOYSA-N
XLogP2.09
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-{4-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(5-methyl-2-furyl)methyl]piperazin-2-yl}ethanol
CID 16192229
N-[(1-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
CID 1224571
2-{1-[(5-methyl-2-furyl)methyl]-4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-2-piperazinyl}ethanol
CID 16190627
2-{1-[(5-methyl-2-furyl)methyl]-4-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-2-piperazinyl}ethanol
CID 16191355
N-[2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl]-2-furamide
CID 4770639
N-[(5-methylfuran-2-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 16677066
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylfuran-2-carboxamide
CID 31852227
1-[2-(Furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 45826600
4-(furan-2-ylmethyl)-N-(1-pyrazol-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 45831710
N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 46954431
N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]propane-1,3-diamine
CID 46954432
(1-Tert-butylpyrazol-4-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 53513048

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (CID 56801209) is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is Cn1cc(C2CCCN2CC(=O)N(CCC#N)Cc2ccco2)cn1.
What is the InChIKey of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is GLCJSEFFILNQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-21-12-15(11-20-21)17-6-2-8-22(17)14-18(24)23(9-4-7-19)13-16-5-3-10-25-16/h3,5,10-12,17H,2,4,6,8-9,13-14H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 341.42 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 56801209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).