N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide

C8H13N3O — CID 112672097

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide
SMILESCCc1nn(C)cc1CNC=O
InChIInChI=1S/C8H13N3O/c1-3-8-7(4-9-6-12)5-11(2)10-8/h5-6H,3-4H2,1-2H3,(H,9,12)
InChIKeyGBJAOJMZGZHXQU-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.23
Rot. Bonds4

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide (PubChem CID 112672097) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide
PubChem CID112672097
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide
SMILESCCc1nn(C)cc1CNC=O
InChIInChI=1S/C8H13N3O/c1-3-8-7(4-9-6-12)5-11(2)10-8/h5-6H,3-4H2,1-2H3,(H,9,12)
InChIKeyGBJAOJMZGZHXQU-UHFFFAOYSA-N
XLogP0.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(E)-4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]but-2-enoic acid
CID 103262659
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine
CID 115885710
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 102810436
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 112549169
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 102810418
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 112669088
2-tert-butylsulfonyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 103893977
5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid
CID 112668369
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-iodophenyl)methanamine
CID 112668872

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide (CID 112672097) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide is CCc1nn(C)cc1CNC=O.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide?
The InChIKey is GBJAOJMZGZHXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-8-7(4-9-6-12)5-11(2)10-8/h5-6H,3-4H2,1-2H3,(H,9,12).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide has a molecular weight of 167.21 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide is sourced from PubChem (CID 112672097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).