N-(methoxymethyl)-1H-pyrazole-4-carboxamide

C6H9N3O2 — CID 154047785

IUPACN-(methoxymethyl)-1H-pyrazole-4-carboxamide
SMILESCOCNC(=O)c1cn[nH]c1
InChIInChI=1S/C6H9N3O2/c1-11-4-7-6(10)5-2-8-9-3-5/h2-3H,4H2,1H3,(H,7,10)(H,8,9)
InChIKeyWFEKLXRYFVANBE-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.26
Rot. Bonds3

About N-(methoxymethyl)-1H-pyrazole-4-carboxamide

N-(methoxymethyl)-1H-pyrazole-4-carboxamide (PubChem CID 154047785) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is N-(methoxymethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(methoxymethyl)-1H-pyrazole-4-carboxamide
PubChem CID154047785
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC NameN-(methoxymethyl)-1H-pyrazole-4-carboxamide
SMILESCOCNC(=O)c1cn[nH]c1
InChIInChI=1S/C6H9N3O2/c1-11-4-7-6(10)5-2-8-9-3-5/h2-3H,4H2,1H3,(H,7,10)(H,8,9)
InChIKeyWFEKLXRYFVANBE-UHFFFAOYSA-N
XLogP-0.26
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(methoxymethyl)-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 103712317
N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide
CID 43533016
N-(3,3-dimethyl-2-oxobutyl)-1H-pyrazole-4-carboxamide
CID 64991887
N-(3-bromo-4-methoxybutyl)-1H-pyrazole-4-carboxamide
CID 106244861
N-methyl-1H-pyrazole-4-carboxamide;propane
CID 155700970
N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 83115021
N-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide
CID 106285778
N-(3-aminobutyl)-1H-pyrazole-4-carboxamide
CID 63253393
N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 115302661
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
N-(2-cyanopropyl)-1H-pyrazole-4-carboxamide
CID 62651511
2-methyl-4-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 80538314

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(methoxymethyl)-1H-pyrazole-4-carboxamide (CID 154047785) is N-(methoxymethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(methoxymethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(methoxymethyl)-1H-pyrazole-4-carboxamide is COCNC(=O)c1cn[nH]c1.
What is the InChIKey of N-(methoxymethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is WFEKLXRYFVANBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-11-4-7-6(10)5-2-8-9-3-5/h2-3H,4H2,1H3,(H,7,10)(H,8,9).
What are the key properties of N-(methoxymethyl)-1H-pyrazole-4-carboxamide?
N-(methoxymethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 155.16 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 154047785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).