methyl 3-pyridin-3-yl-1H-pyrazole-5-carboximidate

C10H10N4O — CID 137027827

IUPACmethyl 3-pyridin-3-yl-1H-pyrazole-5-carboximidate
SMILES[H]/N=C(\OC)c1cc(-c2cccnc2)n[nH]1
InChIInChI=1S/C10H10N4O/c1-15-10(11)9-5-8(13-14-9)7-3-2-4-12-6-7/h2-6,11H,1H3,(H,13,14)/b11-10-
InChIKeyDMGLBKZIFQVKAS-KHPPLWFESA-N
MW202.22 g/mol
LogP1.44
Rot. Bonds2

About methyl 3-pyridin-3-yl-1H-pyrazole-5-carboximidate

methyl 3-pyridin-3-yl-1H-pyrazole-5-carboximidate (PubChem CID 137027827) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is methyl 3-pyridin-3-yl-1H-pyrazole-5-carboximidate.

Molecular Properties

Compound Namemethyl 3-pyridin-3-yl-1H-pyrazole-5-carboximidate
PubChem CID137027827
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Namemethyl 3-pyridin-3-yl-1H-pyrazole-5-carboximidate
SMILES[H]/N=C(\OC)c1cc(-c2cccnc2)n[nH]1
InChIInChI=1S/C10H10N4O/c1-15-10(11)9-5-8(13-14-9)7-3-2-4-12-6-7/h2-6,11H,1H3,(H,13,14)/b11-10-
InChIKeyDMGLBKZIFQVKAS-KHPPLWFESA-N
XLogP1.44
TPSA74.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-pyridin-3-yl-1H-pyrazole-5-carboximidate?
The IUPAC name of methyl 3-pyridin-3-yl-1H-pyrazole-5-carboximidate (CID 137027827) is methyl 3-pyridin-3-yl-1H-pyrazole-5-carboximidate.
What is the SMILES notation for methyl 3-pyridin-3-yl-1H-pyrazole-5-carboximidate?
The canonical SMILES for methyl 3-pyridin-3-yl-1H-pyrazole-5-carboximidate is [H]/N=C(\OC)c1cc(-c2cccnc2)n[nH]1.
What is the InChIKey of methyl 3-pyridin-3-yl-1H-pyrazole-5-carboximidate?
The InChIKey is DMGLBKZIFQVKAS-KHPPLWFESA-N. The full InChI is InChI=1S/C10H10N4O/c1-15-10(11)9-5-8(13-14-9)7-3-2-4-12-6-7/h2-6,11H,1H3,(H,13,14)/b11-10-.
What are the key properties of methyl 3-pyridin-3-yl-1H-pyrazole-5-carboximidate?
methyl 3-pyridin-3-yl-1H-pyrazole-5-carboximidate has a molecular weight of 202.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyridin-3-yl-1H-pyrazole-5-carboximidate is sourced from PubChem (CID 137027827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).