cyclopropylmethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate

C14H15N3O2 — CID 164620468

IUPACcyclopropylmethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate
SMILESCn1ccc(-c2cc(C(=O)OCC3CC3)ccn2)n1
InChIInChI=1S/C14H15N3O2/c1-17-7-5-12(16-17)13-8-11(4-6-15-13)14(18)19-9-10-2-3-10/h4-8,10H,2-3,9H2,1H3
InChIKeyLLDOGCSOUYVXSK-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.05
Rot. Bonds4

About cyclopropylmethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate

cyclopropylmethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate (PubChem CID 164620468) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is cyclopropylmethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate
PubChem CID164620468
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namecyclopropylmethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate
SMILESCn1ccc(-c2cc(C(=O)OCC3CC3)ccn2)n1
InChIInChI=1S/C14H15N3O2/c1-17-7-5-12(16-17)13-8-11(4-6-15-13)14(18)19-9-10-2-3-10/h4-8,10H,2-3,9H2,1H3
InChIKeyLLDOGCSOUYVXSK-UHFFFAOYSA-N
XLogP2.05
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate?
The IUPAC name of cyclopropylmethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate (CID 164620468) is cyclopropylmethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate.
What is the SMILES notation for cyclopropylmethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate?
The canonical SMILES for cyclopropylmethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate is Cn1ccc(-c2cc(C(=O)OCC3CC3)ccn2)n1.
What is the InChIKey of cyclopropylmethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate?
The InChIKey is LLDOGCSOUYVXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-17-7-5-12(16-17)13-8-11(4-6-15-13)14(18)19-9-10-2-3-10/h4-8,10H,2-3,9H2,1H3.
What are the key properties of cyclopropylmethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate?
cyclopropylmethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate is sourced from PubChem (CID 164620468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).