N-methoxy-5-methyl-1H-pyrazole-3-carboxamide

C6H9N3O2 — CID 126988470

IUPACN-methoxy-5-methyl-1H-pyrazole-3-carboxamide
SMILESCONC(=O)c1cc(C)[nH]n1
InChIInChI=1S/C6H9N3O2/c1-4-3-5(8-7-4)6(10)9-11-2/h3H,1-2H3,(H,7,8)(H,9,10)
InChIKeyBJJSWNIKKLYRLZ-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.01
Rot. Bonds2

About N-methoxy-5-methyl-1H-pyrazole-3-carboxamide

N-methoxy-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 126988470) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is N-methoxy-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methoxy-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID126988470
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC NameN-methoxy-5-methyl-1H-pyrazole-3-carboxamide
SMILESCONC(=O)c1cc(C)[nH]n1
InChIInChI=1S/C6H9N3O2/c1-4-3-5(8-7-4)6(10)9-11-2/h3H,1-2H3,(H,7,8)(H,9,10)
InChIKeyBJJSWNIKKLYRLZ-UHFFFAOYSA-N
XLogP0.01
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 47355117
methyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate
CID 86848865
N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 130978682
N-[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamodithioate
CID 135590483
5-methyl-1H-pyrazole-3-carbonyl bromide
CID 167084964
acetylene;ethyl 5-methyl-1H-pyrazole-3-carboxylate
CID 164570952
(2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 79011182
N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide
CID 126857183
5-methyl-N-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-3-carboxamide
CID 47470885
N,5-dimethyl-1H-pyrazole-3-carbohydrazide
CID 13405305
N-but-3-en-2-yl-5-methyl-1H-pyrazole-3-carboxamide
CID 126992210
N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide
CID 47109350

Frequently Asked Questions

What is the IUPAC name of N-methoxy-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-methoxy-5-methyl-1H-pyrazole-3-carboxamide (CID 126988470) is N-methoxy-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-methoxy-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-methoxy-5-methyl-1H-pyrazole-3-carboxamide is CONC(=O)c1cc(C)[nH]n1.
What is the InChIKey of N-methoxy-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is BJJSWNIKKLYRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4-3-5(8-7-4)6(10)9-11-2/h3H,1-2H3,(H,7,8)(H,9,10).
What are the key properties of N-methoxy-5-methyl-1H-pyrazole-3-carboxamide?
N-methoxy-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 155.16 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 126988470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).