2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propylcarbamoyl)acetamide

C12H21N5O2 — CID 39780469

IUPAC2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(C)Cc1cnn(C)c1
InChIInChI=1S/C12H21N5O2/c1-4-5-13-12(19)15-11(18)9-16(2)7-10-6-14-17(3)8-10/h6,8H,4-5,7,9H2,1-3H3,(H2,13,15,18,19)
InChIKeyLYNLQBWRKIKZSD-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.09
Rot. Bonds6

About 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propylcarbamoyl)acetamide

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propylcarbamoyl)acetamide (PubChem CID 39780469) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propylcarbamoyl)acetamide
PubChem CID39780469
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(C)Cc1cnn(C)c1
InChIInChI=1S/C12H21N5O2/c1-4-5-13-12(19)15-11(18)9-16(2)7-10-6-14-17(3)8-10/h6,8H,4-5,7,9H2,1-3H3,(H2,13,15,18,19)
InChIKeyLYNLQBWRKIKZSD-UHFFFAOYSA-N
XLogP0.09
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 39891826
N-(2-methylpropyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide
CID 56780732
1-[2-(4-Iodopyrazol-1-yl)acetyl]imidazolidin-2-one
CID 72007469
1-[3-(4-Methylpyrazol-1-yl)propyl]-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 72018136
1-[2-(4-Chloropyrazol-1-yl)acetyl]imidazolidin-2-one
CID 72130223
5-[2-(4-Methylpyrazol-1-yl)acetyl]-1,5-diazacycloundecan-2-one
CID 110201429
N-cycloheptyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196186
1-Methyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 45860366
N-[3-[(1-ethylpyrazol-4-yl)carbamoylamino]propyl]acetamide
CID 47200160
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 51093456
3-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-propan-2-ylpropanamide
CID 53595702
2-[2-(4-Methylpyrazol-1-yl)ethylamino]butanamide
CID 53618326

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propylcarbamoyl)acetamide (CID 39780469) is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN(C)Cc1cnn(C)c1.
What is the InChIKey of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propylcarbamoyl)acetamide?
The InChIKey is LYNLQBWRKIKZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-5-13-12(19)15-11(18)9-16(2)7-10-6-14-17(3)8-10/h6,8H,4-5,7,9H2,1-3H3,(H2,13,15,18,19).
What are the key properties of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propylcarbamoyl)acetamide?
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propylcarbamoyl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 39780469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).