N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide

C8H13N3O — CID 19458350

IUPACN-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
SMILESCC(=O)N(C)Cc1ccnn1C
InChIInChI=1S/C8H13N3O/c1-7(12)10(2)6-8-4-5-9-11(8)3/h4-5H,6H2,1-3H3
InChIKeyMKMMNHRURUUMNS-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.40
Rot. Bonds2

About N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide

N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide (PubChem CID 19458350) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
PubChem CID19458350
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
SMILESCC(=O)N(C)Cc1ccnn1C
InChIInChI=1S/C8H13N3O/c1-7(12)10(2)6-8-4-5-9-11(8)3/h4-5H,6H2,1-3H3
InChIKeyMKMMNHRURUUMNS-UHFFFAOYSA-N
XLogP0.40
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide (CID 19458350) is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide is CC(=O)N(C)Cc1ccnn1C.
What is the InChIKey of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The InChIKey is MKMMNHRURUUMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7(12)10(2)6-8-4-5-9-11(8)3/h4-5H,6H2,1-3H3.
What are the key properties of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide has a molecular weight of 167.21 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 19458350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).