N,N-dimethyl-2-[[N'-[(2-methylpyrazol-3-yl)methyl]-N-propan-2-ylcarbamimidoyl]amino]acetamide

C13H24N6O — CID 119145475

IUPACN,N-dimethyl-2-[[N'-[(2-methylpyrazol-3-yl)methyl]-N-propan-2-ylcarbamimidoyl]amino]acetamide
SMILESCC(C)N/C(=N\Cc1ccnn1C)NCC(=O)N(C)C
InChIInChI=1S/C13H24N6O/c1-10(2)17-13(15-9-12(20)18(3)4)14-8-11-6-7-16-19(11)5/h6-7,10H,8-9H2,1-5H3,(H2,14,15,17)
InChIKeySFIGQRABRBYXGU-UHFFFAOYSA-N
MW280.38 g/mol
LogP-0.05
Rot. Bonds5

About N,N-dimethyl-2-[[N'-[(2-methylpyrazol-3-yl)methyl]-N-propan-2-ylcarbamimidoyl]amino]acetamide

N,N-dimethyl-2-[[N'-[(2-methylpyrazol-3-yl)methyl]-N-propan-2-ylcarbamimidoyl]amino]acetamide (PubChem CID 119145475) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[[N'-[(2-methylpyrazol-3-yl)methyl]-N-propan-2-ylcarbamimidoyl]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[N'-[(2-methylpyrazol-3-yl)methyl]-N-propan-2-ylcarbamimidoyl]amino]acetamide
PubChem CID119145475
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC NameN,N-dimethyl-2-[[N'-[(2-methylpyrazol-3-yl)methyl]-N-propan-2-ylcarbamimidoyl]amino]acetamide
SMILESCC(C)N/C(=N\Cc1ccnn1C)NCC(=O)N(C)C
InChIInChI=1S/C13H24N6O/c1-10(2)17-13(15-9-12(20)18(3)4)14-8-11-6-7-16-19(11)5/h6-7,10H,8-9H2,1-5H3,(H2,14,15,17)
InChIKeySFIGQRABRBYXGU-UHFFFAOYSA-N
XLogP-0.05
TPSA74.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[N-butan-2-yl-N'-[(2-methylpyrazol-3-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 111545043
N,N-dimethyl-2-[[N-(2-methylprop-2-enyl)-N'-[(2-methylpyrazol-3-yl)methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111364802
N,N-dimethyl-2-[[N-(2-methylcyclohexyl)-N'-[(2-methylpyrazol-3-yl)methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111842673
2-[[N-(3-ethoxypropyl)-N'-[(2-methylpyrazol-3-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365708
N,N-dimethyl-2-[[N-[(2-methylpyrazol-3-yl)methyl]-N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]acetamide
CID 111863183
N,N-dimethyl-2-[[N-(1-phenylethyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamimidoyl]amino]acetamide
CID 111545799
2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 103000916
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
1-ethyl-2,3-bis[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111953417
2-[[N-butan-2-yl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111494117
N-methyl-2-[[N'-methyl-N-[(2-methylpyrazol-3-yl)methyl]carbamimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111671103
2-[[N-butan-2-yl-N'-[(4-methylphenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 111545389

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[N'-[(2-methylpyrazol-3-yl)methyl]-N-propan-2-ylcarbamimidoyl]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[N'-[(2-methylpyrazol-3-yl)methyl]-N-propan-2-ylcarbamimidoyl]amino]acetamide (CID 119145475) is N,N-dimethyl-2-[[N'-[(2-methylpyrazol-3-yl)methyl]-N-propan-2-ylcarbamimidoyl]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[N'-[(2-methylpyrazol-3-yl)methyl]-N-propan-2-ylcarbamimidoyl]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[N'-[(2-methylpyrazol-3-yl)methyl]-N-propan-2-ylcarbamimidoyl]amino]acetamide is CC(C)N/C(=N\Cc1ccnn1C)NCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[[N'-[(2-methylpyrazol-3-yl)methyl]-N-propan-2-ylcarbamimidoyl]amino]acetamide?
The InChIKey is SFIGQRABRBYXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-10(2)17-13(15-9-12(20)18(3)4)14-8-11-6-7-16-19(11)5/h6-7,10H,8-9H2,1-5H3,(H2,14,15,17).
What are the key properties of N,N-dimethyl-2-[[N'-[(2-methylpyrazol-3-yl)methyl]-N-propan-2-ylcarbamimidoyl]amino]acetamide?
N,N-dimethyl-2-[[N'-[(2-methylpyrazol-3-yl)methyl]-N-propan-2-ylcarbamimidoyl]amino]acetamide has a molecular weight of 280.38 g/mol, XLogP of -0.05, 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-[[N'-[(2-methylpyrazol-3-yl)methyl]-N-propan-2-ylcarbamimidoyl]amino]acetamide is sourced from PubChem (CID 119145475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).