N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C16H17N3OS — CID 43771942

IUPACN-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1csc(-c2[nH]ncc2CNC2CCCc3occc32)c1
InChIInChI=1S/C16H17N3OS/c1-3-13(12-6-7-20-14(12)4-1)17-9-11-10-18-19-16(11)15-5-2-8-21-15/h2,5-8,10,13,17H,1,3-4,9H2,(H,18,19)
InChIKeyLXNUSUJIZLOGEK-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.90
Rot. Bonds4

About N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 43771942) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID43771942
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESc1csc(-c2[nH]ncc2CNC2CCCc3occc32)c1
InChIInChI=1S/C16H17N3OS/c1-3-13(12-6-7-20-14(12)4-1)17-9-11-10-18-19-16(11)15-5-2-8-21-15/h2,5-8,10,13,17H,1,3-4,9H2,(H,18,19)
InChIKeyLXNUSUJIZLOGEK-UHFFFAOYSA-N
XLogP3.90
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine with MolForge

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Related Compounds

3,5-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 64733627
N-(1-benzothiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 60761723
[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 106359673
N-[(2,3-dimethylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 54941936
2-bromo-6-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol
CID 61390451
(1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81384549
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 112549268
N-(2H-tetrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466452
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 64541204
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 80648522
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466013
N-[(2-ethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208241

Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 43771942) is N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is c1csc(-c2[nH]ncc2CNC2CCCc3occc32)c1.
What is the InChIKey of N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is LXNUSUJIZLOGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-3-13(12-6-7-20-14(12)4-1)17-9-11-10-18-19-16(11)15-5-2-8-21-15/h2,5-8,10,13,17H,1,3-4,9H2,(H,18,19).
What are the key properties of N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 299.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 43771942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).