N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide

C8H13N3O2 — CID 130497699

IUPACN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide
SMILESCOc1cc(CNC(C)=O)nn1C
InChIInChI=1S/C8H13N3O2/c1-6(12)9-5-7-4-8(13-3)11(2)10-7/h4H,5H2,1-3H3,(H,9,12)
InChIKeyTUVGPDIJNDFHFB-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.06
Rot. Bonds3

About N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide

N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide (PubChem CID 130497699) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide
PubChem CID130497699
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide
SMILESCOc1cc(CNC(C)=O)nn1C
InChIInChI=1S/C8H13N3O2/c1-6(12)9-5-7-4-8(13-3)11(2)10-7/h4H,5H2,1-3H3,(H,9,12)
InChIKeyTUVGPDIJNDFHFB-UHFFFAOYSA-N
XLogP0.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Carbamic acid, dimethyl-, 2-ethyl-5-methyl-3-pyrazolyl ester
CID 54031
3-[(1,3-dimethyl-1H-pyrazol-5-yl)oxy]propan-1-amine
CID 81346017
N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-3-sulfanylpropanamide
CID 177681137
1-[3-(Fluoromethyl)-5-methoxypyrazol-1-yl]propan-2-one
CID 118449694
tert-butyl N-[1-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]carbamate
CID 178139610
1-[5-Methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 178139815
1-[5-Methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine
CID 178139816
1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-allylcarbamate
CID 3401703
1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-propylcarbamate
CID 3779301
N-(3-amino-2,2-difluoropropyl)-5-methoxy-1-methylpyrazole-3-carboxamide
CID 114255137
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methoxy-1-methylpyrazole-3-carboxamide
CID 114255223
1,1,1-Trifluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 114255782

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide (CID 130497699) is N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide is COc1cc(CNC(C)=O)nn1C.
What is the InChIKey of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide?
The InChIKey is TUVGPDIJNDFHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(12)9-5-7-4-8(13-3)11(2)10-7/h4H,5H2,1-3H3,(H,9,12).
What are the key properties of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide?
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide has a molecular weight of 183.21 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 130497699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).