N-[1-(methoxymethyl)pyrazol-4-yl]propanamide

C8H13N3O2 — CID 19411093

IUPACN-[1-(methoxymethyl)pyrazol-4-yl]propanamide
SMILESCCC(=O)Nc1cnn(COC)c1
InChIInChI=1S/C8H13N3O2/c1-3-8(12)10-7-4-9-11(5-7)6-13-2/h4-5H,3,6H2,1-2H3,(H,10,12)
InChIKeyGRFFAFIJIRGXQW-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.84
Rot. Bonds4

About N-[1-(methoxymethyl)pyrazol-4-yl]propanamide

N-[1-(methoxymethyl)pyrazol-4-yl]propanamide (PubChem CID 19411093) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-[1-(methoxymethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-(methoxymethyl)pyrazol-4-yl]propanamide
PubChem CID19411093
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-[1-(methoxymethyl)pyrazol-4-yl]propanamide
SMILESCCC(=O)Nc1cnn(COC)c1
InChIInChI=1S/C8H13N3O2/c1-3-8(12)10-7-4-9-11(5-7)6-13-2/h4-5H,3,6H2,1-2H3,(H,10,12)
InChIKeyGRFFAFIJIRGXQW-UHFFFAOYSA-N
XLogP0.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-(3,4-diethoxyphenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]acetamide
CID 19410975
N-[1-(methoxymethyl)pyrazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19559500
2-[[1-(methoxymethyl)pyrazol-4-yl]amino]acetic acid
CID 154882062
4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411114
1-ethyl-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262380
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19411730
2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19410901
4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 19475994
N-[1-(2-aminoethyl)pyrazol-4-yl]-2-methoxyacetamide
CID 73440703
3-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471366
N-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide
CID 19411100

Frequently Asked Questions

What is the IUPAC name of N-[1-(methoxymethyl)pyrazol-4-yl]propanamide?
The IUPAC name of N-[1-(methoxymethyl)pyrazol-4-yl]propanamide (CID 19411093) is N-[1-(methoxymethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for N-[1-(methoxymethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for N-[1-(methoxymethyl)pyrazol-4-yl]propanamide is CCC(=O)Nc1cnn(COC)c1.
What is the InChIKey of N-[1-(methoxymethyl)pyrazol-4-yl]propanamide?
The InChIKey is GRFFAFIJIRGXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-8(12)10-7-4-9-11(5-7)6-13-2/h4-5H,3,6H2,1-2H3,(H,10,12).
What are the key properties of N-[1-(methoxymethyl)pyrazol-4-yl]propanamide?
N-[1-(methoxymethyl)pyrazol-4-yl]propanamide has a molecular weight of 183.21 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methoxymethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 19411093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).