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

C12H21N5O2 — CID 39780386

IUPAC2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CN(C)Cc1cnn(C)c1
InChIInChI=1S/C12H21N5O2/c1-9(2)14-12(19)15-11(18)8-16(3)6-10-5-13-17(4)7-10/h5,7,9H,6,8H2,1-4H3,(H2,14,15,18,19)
InChIKeyLLNSMYYAJUEVPQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.09
Rot. Bonds5

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

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 39780386) 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-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID39780386
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CN(C)Cc1cnn(C)c1
InChIInChI=1S/C12H21N5O2/c1-9(2)14-12(19)15-11(18)8-16(3)6-10-5-13-17(4)7-10/h5,7,9H,6,8H2,1-4H3,(H2,14,15,18,19)
InChIKeyLLNSMYYAJUEVPQ-UHFFFAOYSA-N
XLogP0.09
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propan-2-ylcarbamoyl)acetamide (CID 39780386) is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)NC(=O)CN(C)Cc1cnn(C)c1.
What is the InChIKey of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is LLNSMYYAJUEVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-9(2)14-12(19)15-11(18)8-16(3)6-10-5-13-17(4)7-10/h5,7,9H,6,8H2,1-4H3,(H2,14,15,18,19).
What are the key properties of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propan-2-ylcarbamoyl)acetamide?
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.09, 5 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-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 39780386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).