N-(furan-2-ylmethyl)-N-methyl-2-[(1-phenylpyrazol-3-yl)amino]acetamide

C17H18N4O2 — CID 71978200

IUPACN-(furan-2-ylmethyl)-N-methyl-2-[(1-phenylpyrazol-3-yl)amino]acetamide
SMILESCN(Cc1ccco1)C(=O)CNc1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H18N4O2/c1-20(13-15-8-5-11-23-15)17(22)12-18-16-9-10-21(19-16)14-6-3-2-4-7-14/h2-11H,12-13H2,1H3,(H,18,19)
InChIKeyGHQLKFYQXZVMOC-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.54
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-methyl-2-[(1-phenylpyrazol-3-yl)amino]acetamide

N-(furan-2-ylmethyl)-N-methyl-2-[(1-phenylpyrazol-3-yl)amino]acetamide (PubChem CID 71978200) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-[(1-phenylpyrazol-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-[(1-phenylpyrazol-3-yl)amino]acetamide
PubChem CID71978200
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-[(1-phenylpyrazol-3-yl)amino]acetamide
SMILESCN(Cc1ccco1)C(=O)CNc1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H18N4O2/c1-20(13-15-8-5-11-23-15)17(22)12-18-16-9-10-21(19-16)14-6-3-2-4-7-14/h2-11H,12-13H2,1H3,(H,18,19)
InChIKeyGHQLKFYQXZVMOC-UHFFFAOYSA-N
XLogP2.54
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-2-(methylamino)acetamide
CID 43396056
N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51164195
N-(furan-2-ylmethyl)-N-methyl-5-(1-phenyltetrazol-5-yl)pentanamide
CID 13203418
2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78787266
4-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809869
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161
2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-methylacetamide
CID 100708985
2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 31470349
N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 27739703
(Z)-4-[furan-2-ylmethyl(methyl)amino]-4-oxobut-2-enoic acid
CID 91989672
(E)-4-[furan-2-ylmethyl(methyl)amino]-4-oxobut-2-enoic acid
CID 39242195

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[(1-phenylpyrazol-3-yl)amino]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[(1-phenylpyrazol-3-yl)amino]acetamide (CID 71978200) is N-(furan-2-ylmethyl)-N-methyl-2-[(1-phenylpyrazol-3-yl)amino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-[(1-phenylpyrazol-3-yl)amino]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-[(1-phenylpyrazol-3-yl)amino]acetamide is CN(Cc1ccco1)C(=O)CNc1ccn(-c2ccccc2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-[(1-phenylpyrazol-3-yl)amino]acetamide?
The InChIKey is GHQLKFYQXZVMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-20(13-15-8-5-11-23-15)17(22)12-18-16-9-10-21(19-16)14-6-3-2-4-7-14/h2-11H,12-13H2,1H3,(H,18,19).
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2-[(1-phenylpyrazol-3-yl)amino]acetamide?
N-(furan-2-ylmethyl)-N-methyl-2-[(1-phenylpyrazol-3-yl)amino]acetamide has a molecular weight of 310.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-[(1-phenylpyrazol-3-yl)amino]acetamide is sourced from PubChem (CID 71978200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).