N-[(1,2-dimethyl-3H-pyrazol-4-yl)methyl]acetamide

C8H15N3O — CID 143571872

IUPACN-[(1,2-dimethyl-3H-pyrazol-4-yl)methyl]acetamide
SMILESCC(=O)NCC1=CN(C)N(C)C1
InChIInChI=1S/C8H15N3O/c1-7(12)9-4-8-5-10(2)11(3)6-8/h5H,4,6H2,1-3H3,(H,9,12)
InChIKeyKIPUGYJWCCFFBC-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.20
Rot. Bonds2

About N-[(1,2-dimethyl-3H-pyrazol-4-yl)methyl]acetamide

N-[(1,2-dimethyl-3H-pyrazol-4-yl)methyl]acetamide (PubChem CID 143571872) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-[(1,2-dimethyl-3H-pyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1,2-dimethyl-3H-pyrazol-4-yl)methyl]acetamide
PubChem CID143571872
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-[(1,2-dimethyl-3H-pyrazol-4-yl)methyl]acetamide
SMILESCC(=O)NCC1=CN(C)N(C)C1
InChIInChI=1S/C8H15N3O/c1-7(12)9-4-8-5-10(2)11(3)6-8/h5H,4,6H2,1-3H3,(H,9,12)
InChIKeyKIPUGYJWCCFFBC-UHFFFAOYSA-N
XLogP-0.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(acetamidomethyl)prop-2-enyl]acetamide
CID 121241432
N-[2-(butylaminomethyl)prop-2-enyl]acetamide
CID 130182860
N-[(E)-2-methyl-3-[methyl-(methylideneamino)amino]prop-2-enyl]acetamide
CID 145408462
N-[2-(2,4-dimethyl-3H-pyrazol-1-yl)ethyl]acetamide
CID 156093690
2-(2,4-dimethyl-3H-pyrazol-1-yl)-N-methylacetamide
CID 156093873
N-[2-(aminomethyl)prop-2-enyl]propanamide
CID 156422708
N-[(E)-3-amino-2-methylprop-2-enyl]acetamide
CID 173476151

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethyl-3H-pyrazol-4-yl)methyl]acetamide?
The IUPAC name of N-[(1,2-dimethyl-3H-pyrazol-4-yl)methyl]acetamide (CID 143571872) is N-[(1,2-dimethyl-3H-pyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(1,2-dimethyl-3H-pyrazol-4-yl)methyl]acetamide?
The canonical SMILES for N-[(1,2-dimethyl-3H-pyrazol-4-yl)methyl]acetamide is CC(=O)NCC1=CN(C)N(C)C1.
What is the InChIKey of N-[(1,2-dimethyl-3H-pyrazol-4-yl)methyl]acetamide?
The InChIKey is KIPUGYJWCCFFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7(12)9-4-8-5-10(2)11(3)6-8/h5H,4,6H2,1-3H3,(H,9,12).
What are the key properties of N-[(1,2-dimethyl-3H-pyrazol-4-yl)methyl]acetamide?
N-[(1,2-dimethyl-3H-pyrazol-4-yl)methyl]acetamide has a molecular weight of 169.23 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethyl-3H-pyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 143571872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).