2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide

C11H19N5O2 — CID 86285523

IUPAC2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1c(CNC(=O)CNC(=O)N(C)C)cnn1C
InChIInChI=1S/C11H19N5O2/c1-8-9(6-14-16(8)4)5-12-10(17)7-13-11(18)15(2)3/h6H,5,7H2,1-4H3,(H,12,17)(H,13,18)
InChIKeyJJQCWCVCHRRLCH-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.38
Rot. Bonds4

About 2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide

2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 86285523) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
PubChem CID86285523
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1c(CNC(=O)CNC(=O)N(C)C)cnn1C
InChIInChI=1S/C11H19N5O2/c1-8-9(6-14-16(8)4)5-12-10(17)7-13-11(18)15(2)3/h6H,5,7H2,1-4H3,(H,12,17)(H,13,18)
InChIKeyJJQCWCVCHRRLCH-UHFFFAOYSA-N
XLogP-0.38
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea
CID 831712
N-butyl-N'-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 4121012
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide
CID 110253470
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-isopropyl-3-oxopiperazin-2-yl)-N-methylacetamide
CID 50968875
N-cyclohexyl-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 841979
2-{7-Amino-3-oxo-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-A]azepin-2-YL}-N-[(1,3-dimethyl-1H-pyrazol-4-YL)methyl]-N-methylacetamide
CID 91910903
N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-2-(3-methyl-1H-pyrazol-1-YL)acetamide
CID 91923159
N-(2-aminoethyl)-2-(5-methyl-1H-pyrazol-1-yl)acetamide
CID 7017753
(2S)-2-{[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]amino}-3-methylbutanamide
CID 46992505
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 56752689
N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-2-oxo-2,3-dihydro-1H-imidazole-4-carboxamide
CID 86284757
N~1~,N~3~-dimethyl-N~3~-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-beta-alaninamide
CID 91838775

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide (CID 86285523) is 2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide is Cc1c(CNC(=O)CNC(=O)N(C)C)cnn1C.
What is the InChIKey of 2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is JJQCWCVCHRRLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-8-9(6-14-16(8)4)5-12-10(17)7-13-11(18)15(2)3/h6H,5,7H2,1-4H3,(H,12,17)(H,13,18).
What are the key properties of 2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide?
2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 253.31 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoylamino)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 86285523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).