N-[1-(2-methylpyrazol-3-yl)propan-2-yl]acetamide

C9H15N3O — CID 175743887

IUPACN-[1-(2-methylpyrazol-3-yl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccnn1C
InChIInChI=1S/C9H15N3O/c1-7(11-8(2)13)6-9-4-5-10-12(9)3/h4-5,7H,6H2,1-3H3,(H,11,13)
InChIKeyDRGRRYVSQOUMLO-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.49
Rot. Bonds3

About N-[1-(2-methylpyrazol-3-yl)propan-2-yl]acetamide

N-[1-(2-methylpyrazol-3-yl)propan-2-yl]acetamide (PubChem CID 175743887) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[1-(2-methylpyrazol-3-yl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-methylpyrazol-3-yl)propan-2-yl]acetamide
PubChem CID175743887
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[1-(2-methylpyrazol-3-yl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccnn1C
InChIInChI=1S/C9H15N3O/c1-7(11-8(2)13)6-9-4-5-10-12(9)3/h4-5,7H,6H2,1-3H3,(H,11,13)
InChIKeyDRGRRYVSQOUMLO-UHFFFAOYSA-N
XLogP0.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
2-[(2-methylpyrazol-3-yl)methyl]butanoic acid
CID 83828502
N-[1-(1,2-oxazol-5-yl)propan-2-yl]acetamide
CID 157037912
2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 61499577
2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 103000916
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
(2R)-2-[2-(2-methylpyrazol-3-yl)ethoxy]propanoic acid
CID 102999451
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024
5-[(2-methylpyrazol-3-yl)methylcarbamoylamino]hexanoic acid
CID 82848263
3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 81069445
3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103005493
N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyacetamide
CID 47414086

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrazol-3-yl)propan-2-yl]acetamide?
The IUPAC name of N-[1-(2-methylpyrazol-3-yl)propan-2-yl]acetamide (CID 175743887) is N-[1-(2-methylpyrazol-3-yl)propan-2-yl]acetamide.
What is the SMILES notation for N-[1-(2-methylpyrazol-3-yl)propan-2-yl]acetamide?
The canonical SMILES for N-[1-(2-methylpyrazol-3-yl)propan-2-yl]acetamide is CC(=O)NC(C)Cc1ccnn1C.
What is the InChIKey of N-[1-(2-methylpyrazol-3-yl)propan-2-yl]acetamide?
The InChIKey is DRGRRYVSQOUMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(11-8(2)13)6-9-4-5-10-12(9)3/h4-5,7H,6H2,1-3H3,(H,11,13).
What are the key properties of N-[1-(2-methylpyrazol-3-yl)propan-2-yl]acetamide?
N-[1-(2-methylpyrazol-3-yl)propan-2-yl]acetamide has a molecular weight of 181.24 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrazol-3-yl)propan-2-yl]acetamide is sourced from PubChem (CID 175743887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).