1-(methoxymethyl)-N-prop-2-enylpyrazole-3-carboxamide

C9H13N3O2 — CID 19270743

IUPAC1-(methoxymethyl)-N-prop-2-enylpyrazole-3-carboxamide
SMILESC=CCNC(=O)c1ccn(COC)n1
InChIInChI=1S/C9H13N3O2/c1-3-5-10-9(13)8-4-6-12(11-8)7-14-2/h3-4,6H,1,5,7H2,2H3,(H,10,13)
InChIKeyCRIJKLLBZGZHPQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.40
Rot. Bonds5

About 1-(methoxymethyl)-N-prop-2-enylpyrazole-3-carboxamide

1-(methoxymethyl)-N-prop-2-enylpyrazole-3-carboxamide (PubChem CID 19270743) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(methoxymethyl)-N-prop-2-enylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(methoxymethyl)-N-prop-2-enylpyrazole-3-carboxamide
PubChem CID19270743
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-(methoxymethyl)-N-prop-2-enylpyrazole-3-carboxamide
SMILESC=CCNC(=O)c1ccn(COC)n1
InChIInChI=1S/C9H13N3O2/c1-3-5-10-9(13)8-4-6-12(11-8)7-14-2/h3-4,6H,1,5,7H2,2H3,(H,10,13)
InChIKeyCRIJKLLBZGZHPQ-UHFFFAOYSA-N
XLogP0.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-N-prop-2-enylpyrazole-3-carboxamide
CID 19262174
N-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270943
1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19277357
1-[(4-chlorophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19280166
1-[(2-chloro-5-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19275546
1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19270816
1-[(2-nitrophenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19273956
1-(methoxymethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19270984
1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
CID 60756667
N-[3-(4-chloropyrazol-1-yl)propyl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270945
1-ethyl-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262380
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270846

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-N-prop-2-enylpyrazole-3-carboxamide?
The IUPAC name of 1-(methoxymethyl)-N-prop-2-enylpyrazole-3-carboxamide (CID 19270743) is 1-(methoxymethyl)-N-prop-2-enylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(methoxymethyl)-N-prop-2-enylpyrazole-3-carboxamide?
The canonical SMILES for 1-(methoxymethyl)-N-prop-2-enylpyrazole-3-carboxamide is C=CCNC(=O)c1ccn(COC)n1.
What is the InChIKey of 1-(methoxymethyl)-N-prop-2-enylpyrazole-3-carboxamide?
The InChIKey is CRIJKLLBZGZHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-3-5-10-9(13)8-4-6-12(11-8)7-14-2/h3-4,6H,1,5,7H2,2H3,(H,10,13).
What are the key properties of 1-(methoxymethyl)-N-prop-2-enylpyrazole-3-carboxamide?
1-(methoxymethyl)-N-prop-2-enylpyrazole-3-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-N-prop-2-enylpyrazole-3-carboxamide is sourced from PubChem (CID 19270743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).