4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-1H-pyrazole-5-carboxamide

C13H14N4O3 — CID 106909746

IUPAC4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1ccc(C2OCCO2)cc1
InChIInChI=1S/C13H14N4O3/c14-10-7-15-17-11(10)12(18)16-9-3-1-8(2-4-9)13-19-5-6-20-13/h1-4,7,13H,5-6,14H2,(H,15,17)(H,16,18)
InChIKeyCVNYIIIFDNCXSE-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.29
Rot. Bonds3

About 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-1H-pyrazole-5-carboxamide

4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 106909746) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID106909746
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1ccc(C2OCCO2)cc1
InChIInChI=1S/C13H14N4O3/c14-10-7-15-17-11(10)12(18)16-9-3-1-8(2-4-9)13-19-5-6-20-13/h1-4,7,13H,5-6,14H2,(H,15,17)(H,16,18)
InChIKeyCVNYIIIFDNCXSE-UHFFFAOYSA-N
XLogP1.29
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-1H-pyrazole-5-carboxamide (CID 106909746) is 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-1H-pyrazole-5-carboxamide is Nc1cn[nH]c1C(=O)Nc1ccc(C2OCCO2)cc1.
What is the InChIKey of 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is CVNYIIIFDNCXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c14-10-7-15-17-11(10)12(18)16-9-3-1-8(2-4-9)13-19-5-6-20-13/h1-4,7,13H,5-6,14H2,(H,15,17)(H,16,18).
What are the key properties of 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-1H-pyrazole-5-carboxamide?
4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 106909746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).