N-(1H-pyrazol-5-yl)-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1-benzofuran-5-yl]formamide

C17H16N4O2 — CID 57040187

IUPACN-(1H-pyrazol-5-yl)-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1-benzofuran-5-yl]formamide
SMILESO=CN(c1ccc2occ(C3=CCNCC3)c2c1)c1ccn[nH]1
InChIInChI=1S/C17H16N4O2/c22-11-21(17-5-8-19-20-17)13-1-2-16-14(9-13)15(10-23-16)12-3-6-18-7-4-12/h1-3,5,8-11,18H,4,6-7H2,(H,19,20)
InChIKeyHZOCAKVGUVADHZ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.83
Rot. Bonds4

About N-(1H-pyrazol-5-yl)-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1-benzofuran-5-yl]formamide

N-(1H-pyrazol-5-yl)-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1-benzofuran-5-yl]formamide (PubChem CID 57040187) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1-benzofuran-5-yl]formamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1-benzofuran-5-yl]formamide
PubChem CID57040187
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(1H-pyrazol-5-yl)-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1-benzofuran-5-yl]formamide
SMILESO=CN(c1ccc2occ(C3=CCNCC3)c2c1)c1ccn[nH]1
InChIInChI=1S/C17H16N4O2/c22-11-21(17-5-8-19-20-17)13-1-2-16-14(9-13)15(10-23-16)12-3-6-18-7-4-12/h1-3,5,8-11,18H,4,6-7H2,(H,19,20)
InChIKeyHZOCAKVGUVADHZ-UHFFFAOYSA-N
XLogP2.83
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1-benzofuran-5-yl]formamide?
The IUPAC name of N-(1H-pyrazol-5-yl)-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1-benzofuran-5-yl]formamide (CID 57040187) is N-(1H-pyrazol-5-yl)-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1-benzofuran-5-yl]formamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1-benzofuran-5-yl]formamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1-benzofuran-5-yl]formamide is O=CN(c1ccc2occ(C3=CCNCC3)c2c1)c1ccn[nH]1.
What is the InChIKey of N-(1H-pyrazol-5-yl)-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1-benzofuran-5-yl]formamide?
The InChIKey is HZOCAKVGUVADHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-11-21(17-5-8-19-20-17)13-1-2-16-14(9-13)15(10-23-16)12-3-6-18-7-4-12/h1-3,5,8-11,18H,4,6-7H2,(H,19,20).
What are the key properties of N-(1H-pyrazol-5-yl)-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1-benzofuran-5-yl]formamide?
N-(1H-pyrazol-5-yl)-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1-benzofuran-5-yl]formamide has a molecular weight of 308.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1-benzofuran-5-yl]formamide is sourced from PubChem (CID 57040187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).