1-[2-(diethylamino)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrazol-4-amine

C18H26N4O2 — CID 75415577

IUPAC1-[2-(diethylamino)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrazol-4-amine
SMILESCCN(CC)CCn1cc(NCc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C18H26N4O2/c1-3-21(4-2)7-8-22-14-16(13-20-22)19-12-15-5-6-17-18(11-15)24-10-9-23-17/h5-6,11,13-14,19H,3-4,7-10,12H2,1-2H3
InChIKeyISPGTEHYLOJUNE-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.61
Rot. Bonds8

About 1-[2-(diethylamino)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrazol-4-amine

1-[2-(diethylamino)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrazol-4-amine (PubChem CID 75415577) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrazol-4-amine
PubChem CID75415577
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[2-(diethylamino)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrazol-4-amine
SMILESCCN(CC)CCn1cc(NCc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C18H26N4O2/c1-3-21(4-2)7-8-22-14-16(13-20-22)19-12-15-5-6-17-18(11-15)24-10-9-23-17/h5-6,11,13-14,19H,3-4,7-10,12H2,1-2H3
InChIKeyISPGTEHYLOJUNE-UHFFFAOYSA-N
XLogP2.61
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpyrazol-4-amine
CID 60870692
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-ethylpyrazol-4-amine
CID 43804263
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-pyrazol-1-ylethanamine
CID 50970555
1-[2-(diethylamino)ethyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazol-4-amine
CID 60938257
1-[2-(diethylamino)ethyl]-N-(oxolan-3-ylmethyl)pyrazol-4-amine
CID 54866641
N-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-ethylpyrazol-4-amine
CID 43543276
1-[2-(diethylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-amine
CID 62658494
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730058
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methylpyridin-3-amine
CID 103926145
3-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
CID 115972346
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-iodoaniline
CID 28975647
1-[2-(diethylamino)ethyl]-N-(3-methylbutan-2-yl)pyrazol-4-amine
CID 54866652

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-[2-(diethylamino)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrazol-4-amine (CID 75415577) is 1-[2-(diethylamino)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrazol-4-amine is CCN(CC)CCn1cc(NCc2ccc3c(c2)OCCO3)cn1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrazol-4-amine?
The InChIKey is ISPGTEHYLOJUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-3-21(4-2)7-8-22-14-16(13-20-22)19-12-15-5-6-17-18(11-15)24-10-9-23-17/h5-6,11,13-14,19H,3-4,7-10,12H2,1-2H3.
What are the key properties of 1-[2-(diethylamino)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrazol-4-amine?
1-[2-(diethylamino)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrazol-4-amine has a molecular weight of 330.43 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 75415577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).