methyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate

C10H9N3O2 — CID 170171280

IUPACmethyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2cn[nH]c2)c1
InChIInChI=1S/C10H9N3O2/c1-15-10(14)7-2-3-11-9(4-7)8-5-12-13-6-8/h2-6H,1H3,(H,12,13)
InChIKeyIOOKLBWZNJYIFB-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.26
Rot. Bonds2

About methyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate

methyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate (PubChem CID 170171280) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is methyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate
PubChem CID170171280
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Namemethyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2cn[nH]c2)c1
InChIInChI=1S/C10H9N3O2/c1-15-10(14)7-2-3-11-9(4-7)8-5-12-13-6-8/h2-6H,1H3,(H,12,13)
InChIKeyIOOKLBWZNJYIFB-UHFFFAOYSA-N
XLogP1.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-(1H-pyrazol-4-yl)pyridine-3-carboxylate
CID 126673838
methyl 2-(4-ethylphenyl)pyridine-4-carboxylate
CID 172552381
[2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 121494580
methyl 2-(4-chloro-3,5-difluorophenyl)pyridine-4-carboxylate;hydrochloride
CID 66732376
methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate
CID 66731831
methyl 3-isocyano-4-(1H-pyrazol-4-yl)benzoate
CID 159332572
methyl 3-(difluoromethoxy)-4-(1H-pyrazol-4-yl)benzoate
CID 90376432
methyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate
CID 131839676
methyl 2-chloro-5-(1H-pyrazol-4-yl)benzoate
CID 129283677
methyl 3-nitro-4-(1H-pyrazol-4-yl)benzoate
CID 115512427
methyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 66732503
4-(1H-pyrazol-4-yl)pyridine-2-carboxylic acid
CID 82404796

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate (CID 170171280) is methyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate is COC(=O)c1ccnc(-c2cn[nH]c2)c1.
What is the InChIKey of methyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate?
The InChIKey is IOOKLBWZNJYIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-15-10(14)7-2-3-11-9(4-7)8-5-12-13-6-8/h2-6H,1H3,(H,12,13).
What are the key properties of methyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate?
methyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate has a molecular weight of 203.20 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate is sourced from PubChem (CID 170171280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).