5-(1,3-dihydro-2-benzofuran-5-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine

C16H14N4O — CID 80519875

IUPAC5-(1,3-dihydro-2-benzofuran-5-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc3c(c2)COC3)c1-c1ccccn1
InChIInChI=1S/C16H14N4O/c17-16-14(13-3-1-2-6-18-13)15(19-20-16)10-4-5-11-8-21-9-12(11)7-10/h1-7H,8-9H2,(H3,17,19,20)
InChIKeyJNTJWINXENYZMD-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.75
Rot. Bonds2

About 5-(1,3-dihydro-2-benzofuran-5-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine

5-(1,3-dihydro-2-benzofuran-5-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine (PubChem CID 80519875) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-(1,3-dihydro-2-benzofuran-5-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1,3-dihydro-2-benzofuran-5-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
PubChem CID80519875
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name5-(1,3-dihydro-2-benzofuran-5-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc3c(c2)COC3)c1-c1ccccn1
InChIInChI=1S/C16H14N4O/c17-16-14(13-3-1-2-6-18-13)15(19-20-16)10-4-5-11-8-21-9-12(11)7-10/h1-7H,8-9H2,(H3,17,19,20)
InChIKeyJNTJWINXENYZMD-UHFFFAOYSA-N
XLogP2.75
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dihydro-2-benzofuran-5-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(1,3-dihydro-2-benzofuran-5-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine (CID 80519875) is 5-(1,3-dihydro-2-benzofuran-5-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1,3-dihydro-2-benzofuran-5-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1,3-dihydro-2-benzofuran-5-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccc3c(c2)COC3)c1-c1ccccn1.
What is the InChIKey of 5-(1,3-dihydro-2-benzofuran-5-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
The InChIKey is JNTJWINXENYZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-16-14(13-3-1-2-6-18-13)15(19-20-16)10-4-5-11-8-21-9-12(11)7-10/h1-7H,8-9H2,(H3,17,19,20).
What are the key properties of 5-(1,3-dihydro-2-benzofuran-5-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
5-(1,3-dihydro-2-benzofuran-5-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine has a molecular weight of 278.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dihydro-2-benzofuran-5-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 80519875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).