N-(1,3-dioxolan-2-ylmethyl)-1-pyridin-3-ylpyrazole-4-carboxamide

C13H14N4O3 — CID 58270531

IUPACN-(1,3-dioxolan-2-ylmethyl)-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NCC1OCCO1)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C13H14N4O3/c18-13(15-8-12-19-4-5-20-12)10-6-16-17(9-10)11-2-1-3-14-7-11/h1-3,6-7,9,12H,4-5,8H2,(H,15,18)
InChIKeyGEPREDQFRGTNOT-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.37
Rot. Bonds4

About N-(1,3-dioxolan-2-ylmethyl)-1-pyridin-3-ylpyrazole-4-carboxamide

N-(1,3-dioxolan-2-ylmethyl)-1-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 58270531) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(1,3-dioxolan-2-ylmethyl)-1-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxolan-2-ylmethyl)-1-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID58270531
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-(1,3-dioxolan-2-ylmethyl)-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NCC1OCCO1)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C13H14N4O3/c18-13(15-8-12-19-4-5-20-12)10-6-16-17(9-10)11-2-1-3-14-7-11/h1-3,6-7,9,12H,4-5,8H2,(H,15,18)
InChIKeyGEPREDQFRGTNOT-UHFFFAOYSA-N
XLogP0.37
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-1-pyridin-3-ylpyrazole-4-carboxamide (CID 58270531) is N-(1,3-dioxolan-2-ylmethyl)-1-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1,3-dioxolan-2-ylmethyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(1,3-dioxolan-2-ylmethyl)-1-pyridin-3-ylpyrazole-4-carboxamide is O=C(NCC1OCCO1)c1cnn(-c2cccnc2)c1.
What is the InChIKey of N-(1,3-dioxolan-2-ylmethyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is GEPREDQFRGTNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c18-13(15-8-12-19-4-5-20-12)10-6-16-17(9-10)11-2-1-3-14-7-11/h1-3,6-7,9,12H,4-5,8H2,(H,15,18).
What are the key properties of N-(1,3-dioxolan-2-ylmethyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
N-(1,3-dioxolan-2-ylmethyl)-1-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxolan-2-ylmethyl)-1-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 58270531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).