2-(1,3-dioxolan-2-yl)-1-(2-phenylpyrazol-3-yl)ethanamine

C14H17N3O2 — CID 107332163

IUPAC2-(1,3-dioxolan-2-yl)-1-(2-phenylpyrazol-3-yl)ethanamine
SMILESNC(CC1OCCO1)c1ccnn1-c1ccccc1
InChIInChI=1S/C14H17N3O2/c15-12(10-14-18-8-9-19-14)13-6-7-16-17(13)11-4-2-1-3-5-11/h1-7,12,14H,8-10,15H2
InChIKeyFYXBXWSDDUDBNT-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.64
Rot. Bonds4

About 2-(1,3-dioxolan-2-yl)-1-(2-phenylpyrazol-3-yl)ethanamine

2-(1,3-dioxolan-2-yl)-1-(2-phenylpyrazol-3-yl)ethanamine (PubChem CID 107332163) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-(2-phenylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-(2-phenylpyrazol-3-yl)ethanamine
PubChem CID107332163
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(1,3-dioxolan-2-yl)-1-(2-phenylpyrazol-3-yl)ethanamine
SMILESNC(CC1OCCO1)c1ccnn1-c1ccccc1
InChIInChI=1S/C14H17N3O2/c15-12(10-14-18-8-9-19-14)13-6-7-16-17(13)11-4-2-1-3-5-11/h1-7,12,14H,8-10,15H2
InChIKeyFYXBXWSDDUDBNT-UHFFFAOYSA-N
XLogP1.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330546
1-(2-phenylpyrazol-3-yl)-2-pyridin-3-ylethanamine
CID 107330584
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylpyrazol-3-yl)ethanamine
CID 107330598
4-methoxy-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107332084
(2-methylcyclopropyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330350
2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine
CID 114686983
(3-methylcyclopentyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330702
2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330398
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 105162867
[(1-methylpyrazol-4-yl)-(2-phenylpyrazol-3-yl)methyl]hydrazine
CID 107332407
(5-methylfuran-2-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332054

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(2-phenylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(2-phenylpyrazol-3-yl)ethanamine (CID 107332163) is 2-(1,3-dioxolan-2-yl)-1-(2-phenylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-(2-phenylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-(2-phenylpyrazol-3-yl)ethanamine is NC(CC1OCCO1)c1ccnn1-c1ccccc1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-(2-phenylpyrazol-3-yl)ethanamine?
The InChIKey is FYXBXWSDDUDBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-12(10-14-18-8-9-19-14)13-6-7-16-17(13)11-4-2-1-3-5-11/h1-7,12,14H,8-10,15H2.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-(2-phenylpyrazol-3-yl)ethanamine?
2-(1,3-dioxolan-2-yl)-1-(2-phenylpyrazol-3-yl)ethanamine has a molecular weight of 259.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1-(2-phenylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 107332163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).