2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]-N-methylacetamide

C10H15N5O — CID 55243869

IUPAC2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1c(C#N)c(C)nn1C
InChIInChI=1S/C10H15N5O/c1-7-8(5-11)10(15(4)13-7)14(3)6-9(16)12-2/h6H2,1-4H3,(H,12,16)
InChIKeyGXMMJFIJYWAGCI-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.22
Rot. Bonds3

About 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]-N-methylacetamide

2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]-N-methylacetamide (PubChem CID 55243869) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]-N-methylacetamide
PubChem CID55243869
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1c(C#N)c(C)nn1C
InChIInChI=1S/C10H15N5O/c1-7-8(5-11)10(15(4)13-7)14(3)6-9(16)12-2/h6H2,1-4H3,(H,12,16)
InChIKeyGXMMJFIJYWAGCI-UHFFFAOYSA-N
XLogP-0.22
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]-2-methylpropanoate
CID 63756327
ethyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoate
CID 63758747
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid
CID 63758693
5-[benzyl(methyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63751974
5-[(3-amino-4-methylpentyl)-methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 113285589
1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbonitrile
CID 63753001
5-[(4-bromothiophen-2-yl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63752150
5-(dibutylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63751803
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-methylacetamide
CID 60796591
5-[2-cyanopropyl(ethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63758874
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid
CID 63758168
5-[(5-amino-2-chlorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757012

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]-N-methylacetamide (CID 55243869) is 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]-N-methylacetamide is CNC(=O)CN(C)c1c(C#N)c(C)nn1C.
What is the InChIKey of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]-N-methylacetamide?
The InChIKey is GXMMJFIJYWAGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-7-8(5-11)10(15(4)13-7)14(3)6-9(16)12-2/h6H2,1-4H3,(H,12,16).
What are the key properties of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]-N-methylacetamide?
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]-N-methylacetamide has a molecular weight of 221.26 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]-N-methylacetamide is sourced from PubChem (CID 55243869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).