1-(5-amino-1H-pyrazol-4-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol

C14H17N3O2 — CID 65445130

IUPAC1-(5-amino-1H-pyrazol-4-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
SMILESNc1[nH]ncc1C(O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C14H17N3O2/c15-14-11(8-16-17-14)12(18)3-1-9-2-4-13-10(7-9)5-6-19-13/h2,4,7-8,12,18H,1,3,5-6H2,(H3,15,16,17)
InChIKeyABGKFXQJDJESGT-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.59
Rot. Bonds4

About 1-(5-amino-1H-pyrazol-4-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol

1-(5-amino-1H-pyrazol-4-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol (PubChem CID 65445130) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
PubChem CID65445130
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
SMILESNc1[nH]ncc1C(O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C14H17N3O2/c15-14-11(8-16-17-14)12(18)3-1-9-2-4-13-10(7-9)5-6-19-13/h2,4,7-8,12,18H,1,3,5-6H2,(H3,15,16,17)
InChIKeyABGKFXQJDJESGT-UHFFFAOYSA-N
XLogP1.59
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(5-amino-1H-pyrazol-4-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol with MolForge

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Related Compounds

1-(2-amino-4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 65445879
1-(3-chloro-4-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 105101170
3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol
CID 65446224
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol
CID 65445470
1-(5-chloro-1,3-thiazol-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 107125040
4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydrazinylpropyl]-1-methylpyrazol-5-amine
CID 105230739
1-(5-bromofuran-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 65445840
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol
CID 105101130
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65447174
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol
CID 105101240
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-3-pyridinyl)propyl]hydrazine
CID 105279768
1-(3,5-dibromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 107975539

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol (CID 65445130) is 1-(5-amino-1H-pyrazol-4-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol is Nc1[nH]ncc1C(O)CCc1ccc2c(c1)CCO2.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The InChIKey is ABGKFXQJDJESGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-14-11(8-16-17-14)12(18)3-1-9-2-4-13-10(7-9)5-6-19-13/h2,4,7-8,12,18H,1,3,5-6H2,(H3,15,16,17).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
1-(5-amino-1H-pyrazol-4-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol has a molecular weight of 259.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-pyrazol-4-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol is sourced from PubChem (CID 65445130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).