N-tert-butyl-2-[methyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetamide

C12H21N5O2 — CID 78874989

IUPACN-tert-butyl-2-[methyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)Nc1cnn(C)c1
InChIInChI=1S/C12H21N5O2/c1-12(2,3)15-10(18)8-16(4)11(19)14-9-6-13-17(5)7-9/h6-7H,8H2,1-5H3,(H,14,19)(H,15,18)
InChIKeyIRQYMVHTEUUWIE-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.80
Rot. Bonds3

About N-tert-butyl-2-[methyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetamide

N-tert-butyl-2-[methyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetamide (PubChem CID 78874989) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetamide
PubChem CID78874989
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-tert-butyl-2-[methyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)Nc1cnn(C)c1
InChIInChI=1S/C12H21N5O2/c1-12(2,3)15-10(18)8-16(4)11(19)14-9-6-13-17(5)7-9/h6-7H,8H2,1-5H3,(H,14,19)(H,15,18)
InChIKeyIRQYMVHTEUUWIE-UHFFFAOYSA-N
XLogP0.80
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetamide (CID 78874989) is N-tert-butyl-2-[methyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetamide is CN(CC(=O)NC(C)(C)C)C(=O)Nc1cnn(C)c1.
What is the InChIKey of N-tert-butyl-2-[methyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetamide?
The InChIKey is IRQYMVHTEUUWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-12(2,3)15-10(18)8-16(4)11(19)14-9-6-13-17(5)7-9/h6-7H,8H2,1-5H3,(H,14,19)(H,15,18).
What are the key properties of N-tert-butyl-2-[methyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetamide?
N-tert-butyl-2-[methyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetamide has a molecular weight of 267.33 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetamide is sourced from PubChem (CID 78874989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).