N,N-dimethyl-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetamide

C13H18N4O2 — CID 43775405

IUPACN,N-dimethyl-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetamide
SMILESCc1ccc(-c2[nH]ncc2CNCC(=O)N(C)C)o1
InChIInChI=1S/C13H18N4O2/c1-9-4-5-11(19-9)13-10(7-15-16-13)6-14-8-12(18)17(2)3/h4-5,7,14H,6,8H2,1-3H3,(H,15,16)
InChIKeyCQIMCADERWTFBK-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.16
Rot. Bonds5

About N,N-dimethyl-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetamide

N,N-dimethyl-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetamide (PubChem CID 43775405) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N,N-dimethyl-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetamide
PubChem CID43775405
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN,N-dimethyl-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetamide
SMILESCc1ccc(-c2[nH]ncc2CNCC(=O)N(C)C)o1
InChIInChI=1S/C13H18N4O2/c1-9-4-5-11(19-9)13-10(7-15-16-13)6-14-8-12(18)17(2)3/h4-5,7,14H,6,8H2,1-3H3,(H,15,16)
InChIKeyCQIMCADERWTFBK-UHFFFAOYSA-N
XLogP1.16
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid
CID 43774244
N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 60664694
1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine
CID 43433346
2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol
CID 63680783
2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 60817298
2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol
CID 43771485
4-[[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962125
2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol
CID 107850384
2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile
CID 104587090
[1-[[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]cyclopentyl]methanol
CID 115358774
tert-butyl N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]carbamate
CID 107237111
1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol
CID 111104767

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetamide (CID 43775405) is N,N-dimethyl-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetamide is Cc1ccc(-c2[nH]ncc2CNCC(=O)N(C)C)o1.
What is the InChIKey of N,N-dimethyl-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetamide?
The InChIKey is CQIMCADERWTFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9-4-5-11(19-9)13-10(7-15-16-13)6-14-8-12(18)17(2)3/h4-5,7,14H,6,8H2,1-3H3,(H,15,16).
What are the key properties of N,N-dimethyl-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetamide?
N,N-dimethyl-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetamide has a molecular weight of 262.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetamide is sourced from PubChem (CID 43775405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).