1-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrazol-4-amine

C14H17N3O2 — CID 66928824

IUPAC1-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrazol-4-amine
SMILESCC1(c2cccc(Cn3cc(N)cn3)c2)OCCO1
InChIInChI=1S/C14H17N3O2/c1-14(18-5-6-19-14)12-4-2-3-11(7-12)9-17-10-13(15)8-16-17/h2-4,7-8,10H,5-6,9,15H2,1H3
InChIKeyGZQJTEHTMXVSIG-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.73
Rot. Bonds3

About 1-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrazol-4-amine

1-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrazol-4-amine (PubChem CID 66928824) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrazol-4-amine
PubChem CID66928824
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrazol-4-amine
SMILESCC1(c2cccc(Cn3cc(N)cn3)c2)OCCO1
InChIInChI=1S/C14H17N3O2/c1-14(18-5-6-19-14)12-4-2-3-11(7-12)9-17-10-13(15)8-16-17/h2-4,7-8,10H,5-6,9,15H2,1H3
InChIKeyGZQJTEHTMXVSIG-UHFFFAOYSA-N
XLogP1.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(cyclopentyloxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 84587706
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methanamine
CID 126823763
1-(3-aminopropyl)-N-(4-fluoro-5-phenylmethoxypentyl)pyrazol-4-amine
CID 178767645
1-[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine
CID 138056617
1-[4-(2-Methyl-[1,3]dioxolan-2-yl)-pyridin-2-ylmethyl]-1H-pyrazol-4-ylamine
CID 66928657
1-[3-(2-Methyl-[1,3]dioxolan-2-yl)-benzyl]-4-nitro-1H-pyrazole
CID 66928740
1-[5-(2-Methyl-[1,3]dioxolan-2-yl)-pyridin-3-ylmethyl]-1H-pyrazol-4-ylamine
CID 66929216
1-(1-Phenylmethoxyethyl)pyrazol-4-amine
CID 68735596
2-[3-[(4-Aminopyrazol-1-yl)methyl]phenyl]propan-2-ol
CID 71259755
1-[4-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)phenyl]pyrazole
CID 90989801
1-(4-(2-(methoxymethyl)-1,3-dioxolan-2-yl)phenyl)-1H-pyrazole
CID 117949356
1-[4-(1,3-Dioxolan-2-yl)phenyl]pyrazole
CID 129963323

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrazol-4-amine?
The IUPAC name of 1-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrazol-4-amine (CID 66928824) is 1-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrazol-4-amine is CC1(c2cccc(Cn3cc(N)cn3)c2)OCCO1.
What is the InChIKey of 1-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrazol-4-amine?
The InChIKey is GZQJTEHTMXVSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(18-5-6-19-14)12-4-2-3-11(7-12)9-17-10-13(15)8-16-17/h2-4,7-8,10H,5-6,9,15H2,1H3.
What are the key properties of 1-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrazol-4-amine?
1-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrazol-4-amine has a molecular weight of 259.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]pyrazol-4-amine is sourced from PubChem (CID 66928824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).