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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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-pyridin-3-ylpyrazole-4-carboxamide
CID 120945565
N-cyclopropylsulfonyl-1-pyridin-3-ylpyrazole-4-carboxamide
CID 53483031
N-(2-methyl-2-pyrazol-1-ylpropyl)-1-pyridin-3-ylpyrazole-4-carboxamide
CID 154843795
N-dimethylsulfinamoyl-1-pyridin-3-ylpyrazole-4-carboxamide
CID 130392037
(2R)-1-(1-pyridin-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370965
N-[2-(3-fluorophenyl)propan-2-yl]-1-pyridin-3-ylpyrazole-4-carboxamide
CID 122143963
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
1-(1-phenylpyrazol-4-yl)-2-pyridin-3-ylethanone
CID 105127838
N-methoxy-N-methyl-1-pyridin-3-ylpyrazole-4-carboxamide;1-(1-pyridin-3-ylpyrazol-4-yl)ethanone
CID 158826133
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-4-carboxamide
CID 18164203
N-[(4-fluoro-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 45243143
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide
CID 119074513

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).