N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-ethylpyrazol-4-amine

C14H17N3O — CID 43804263

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-ethylpyrazol-4-amine
SMILESCCn1cc(NCc2ccc3c(c2)CCO3)cn1
InChIInChI=1S/C14H17N3O/c1-2-17-10-13(9-16-17)15-8-11-3-4-14-12(7-11)5-6-18-14/h3-4,7,9-10,15H,2,5-6,8H2,1H3
InChIKeyZWULXVCREOYNQV-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.45
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-ethylpyrazol-4-amine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-ethylpyrazol-4-amine (PubChem CID 43804263) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-ethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-ethylpyrazol-4-amine
PubChem CID43804263
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-ethylpyrazol-4-amine
SMILESCCn1cc(NCc2ccc3c(c2)CCO3)cn1
InChIInChI=1S/C14H17N3O/c1-2-17-10-13(9-16-17)15-8-11-3-4-14-12(7-11)5-6-18-14/h3-4,7,9-10,15H,2,5-6,8H2,1H3
InChIKeyZWULXVCREOYNQV-UHFFFAOYSA-N
XLogP2.45
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)-3,5-dimethylaniline
CID 43804100
4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)benzonitrile
CID 43804098
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 19625859
1-[2-(diethylamino)ethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrazol-4-amine
CID 75415577
N-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-ethylpyrazol-4-amine
CID 43543276
4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol
CID 19627559
1-ethyl-N-(1H-indol-6-ylmethyl)pyrazol-4-amine
CID 102909482
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 62097571
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822325
3-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methylaniline
CID 63333075
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 154880629

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-ethylpyrazol-4-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-ethylpyrazol-4-amine (CID 43804263) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-ethylpyrazol-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-ethylpyrazol-4-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-ethylpyrazol-4-amine is CCn1cc(NCc2ccc3c(c2)CCO3)cn1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-ethylpyrazol-4-amine?
The InChIKey is ZWULXVCREOYNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-17-10-13(9-16-17)15-8-11-3-4-14-12(7-11)5-6-18-14/h3-4,7,9-10,15H,2,5-6,8H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-ethylpyrazol-4-amine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-ethylpyrazol-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-ethylpyrazol-4-amine is sourced from PubChem (CID 43804263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).