acetic acid;N'-(5-methyl-1H-pyrazol-3-yl)ethanimidamide

C8H14N4O2 — CID 139034558

IUPACacetic acid;N'-(5-methyl-1H-pyrazol-3-yl)ethanimidamide
SMILESC/C(N)=N\c1cc(C)[nH]n1.CC(=O)O
InChIInChI=1S/C6H10N4.C2H4O2/c1-4-3-6(10-9-4)8-5(2)7;1-2(3)4/h3H,1-2H3,(H3,7,8,9,10);1H3,(H,3,4)
InChIKeyMBNOAFDQORUFRF-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.82
Rot. Bonds1

About acetic acid;N'-(5-methyl-1H-pyrazol-3-yl)ethanimidamide

acetic acid;N'-(5-methyl-1H-pyrazol-3-yl)ethanimidamide (PubChem CID 139034558) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is acetic acid;N'-(5-methyl-1H-pyrazol-3-yl)ethanimidamide.

Molecular Properties

Compound Nameacetic acid;N'-(5-methyl-1H-pyrazol-3-yl)ethanimidamide
PubChem CID139034558
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Nameacetic acid;N'-(5-methyl-1H-pyrazol-3-yl)ethanimidamide
SMILESC/C(N)=N\c1cc(C)[nH]n1.CC(=O)O
InChIInChI=1S/C6H10N4.C2H4O2/c1-4-3-6(10-9-4)8-5(2)7;1-2(3)4/h3H,1-2H3,(H3,7,8,9,10);1H3,(H,3,4)
InChIKeyMBNOAFDQORUFRF-UHFFFAOYSA-N
XLogP0.82
TPSA104.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(5-methyl-1H-pyrazol-3-yl)butanimidamide
CID 10844796
N-hydroxy-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
CID 10607196
phenyl N-cyano-N'-(5-methyl-1H-pyrazol-3-yl)carbamimidate
CID 59689620
N'-(5-ethyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride
CID 19002153
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960
(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]pent-3-en-2-one
CID 135753631
N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide
CID 10511594
3,3-dimethylbutan-2-one;3,5-dimethyl-1H-pyrazole
CID 143661078
(2E)-3-[(5-methyl-1H-pyrazol-3-yl)imino]-1-phenyl-2-(phenylhydrazinylidene)propan-1-one
CID 135572105
3-methyl-3-(5-methyl-1H-pyrazol-3-yl)butan-2-one
CID 141243301
N'-(5-propyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride
CID 19002148
5-methyl-1H-pyrazole-3-carbonyl bromide
CID 167084964

Frequently Asked Questions

What is the IUPAC name of acetic acid;N'-(5-methyl-1H-pyrazol-3-yl)ethanimidamide?
The IUPAC name of acetic acid;N'-(5-methyl-1H-pyrazol-3-yl)ethanimidamide (CID 139034558) is acetic acid;N'-(5-methyl-1H-pyrazol-3-yl)ethanimidamide.
What is the SMILES notation for acetic acid;N'-(5-methyl-1H-pyrazol-3-yl)ethanimidamide?
The canonical SMILES for acetic acid;N'-(5-methyl-1H-pyrazol-3-yl)ethanimidamide is C/C(N)=N\c1cc(C)[nH]n1.CC(=O)O.
What is the InChIKey of acetic acid;N'-(5-methyl-1H-pyrazol-3-yl)ethanimidamide?
The InChIKey is MBNOAFDQORUFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4.C2H4O2/c1-4-3-6(10-9-4)8-5(2)7;1-2(3)4/h3H,1-2H3,(H3,7,8,9,10);1H3,(H,3,4).
What are the key properties of acetic acid;N'-(5-methyl-1H-pyrazol-3-yl)ethanimidamide?
acetic acid;N'-(5-methyl-1H-pyrazol-3-yl)ethanimidamide has a molecular weight of 198.23 g/mol, XLogP of 0.82, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N'-(5-methyl-1H-pyrazol-3-yl)ethanimidamide is sourced from PubChem (CID 139034558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).