3-(methoxymethyl)-5-methyl-1H-pyrazole-4-carboxamide

C7H11N3O2 — CID 175827236

IUPAC3-(methoxymethyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOCc1n[nH]c(C)c1C(N)=O
InChIInChI=1S/C7H11N3O2/c1-4-6(7(8)11)5(3-12-2)10-9-4/h3H2,1-2H3,(H2,8,11)(H,9,10)
InChIKeyJDKPGPIGZRRWDQ-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.04
Rot. Bonds3

About 3-(methoxymethyl)-5-methyl-1H-pyrazole-4-carboxamide

3-(methoxymethyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 175827236) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID175827236
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name3-(methoxymethyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOCc1n[nH]c(C)c1C(N)=O
InChIInChI=1S/C7H11N3O2/c1-4-6(7(8)11)5(3-12-2)10-9-4/h3H2,1-2H3,(H2,8,11)(H,9,10)
InChIKeyJDKPGPIGZRRWDQ-UHFFFAOYSA-N
XLogP-0.04
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-(methoxymethyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 175827236) is 3-(methoxymethyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-5-methyl-1H-pyrazole-4-carboxamide is COCc1n[nH]c(C)c1C(N)=O.
What is the InChIKey of 3-(methoxymethyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is JDKPGPIGZRRWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-6(7(8)11)5(3-12-2)10-9-4/h3H2,1-2H3,(H2,8,11)(H,9,10).
What are the key properties of 3-(methoxymethyl)-5-methyl-1H-pyrazole-4-carboxamide?
3-(methoxymethyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 169.18 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 175827236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).