1-[5-(1-benzofuran-2-yl)-1H-pyrazol-3-yl]piperidin-3-amine

C16H18N4O — CID 114697842

IUPAC1-[5-(1-benzofuran-2-yl)-1H-pyrazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2cc(-c3cc4ccccc4o3)[nH]n2)C1
InChIInChI=1S/C16H18N4O/c17-12-5-3-7-20(10-12)16-9-13(18-19-16)15-8-11-4-1-2-6-14(11)21-15/h1-2,4,6,8-9,12H,3,5,7,10,17H2,(H,18,19)
InChIKeyGYOVHMGDZJNUAK-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.75
Rot. Bonds2

About 1-[5-(1-benzofuran-2-yl)-1H-pyrazol-3-yl]piperidin-3-amine

1-[5-(1-benzofuran-2-yl)-1H-pyrazol-3-yl]piperidin-3-amine (PubChem CID 114697842) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-[5-(1-benzofuran-2-yl)-1H-pyrazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[5-(1-benzofuran-2-yl)-1H-pyrazol-3-yl]piperidin-3-amine
PubChem CID114697842
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-[5-(1-benzofuran-2-yl)-1H-pyrazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2cc(-c3cc4ccccc4o3)[nH]n2)C1
InChIInChI=1S/C16H18N4O/c17-12-5-3-7-20(10-12)16-9-13(18-19-16)15-8-11-4-1-2-6-14(11)21-15/h1-2,4,6,8-9,12H,3,5,7,10,17H2,(H,18,19)
InChIKeyGYOVHMGDZJNUAK-UHFFFAOYSA-N
XLogP2.75
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-amine
CID 56771527
1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 56771507
1-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 56771509
1-[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 114697799
1-[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 114697789
1-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-amine
CID 56771532
1-[6-(5-methylfuran-2-yl)pyridazin-3-yl]piperidin-3-amine
CID 116972407
1-pyridazin-3-ylpiperidin-3-amine
CID 54593919
1-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepane;hydrochloride
CID 154883656
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537
1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid
CID 56771463
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-3-carboxamide
CID 91914548

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-benzofuran-2-yl)-1H-pyrazol-3-yl]piperidin-3-amine?
The IUPAC name of 1-[5-(1-benzofuran-2-yl)-1H-pyrazol-3-yl]piperidin-3-amine (CID 114697842) is 1-[5-(1-benzofuran-2-yl)-1H-pyrazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 1-[5-(1-benzofuran-2-yl)-1H-pyrazol-3-yl]piperidin-3-amine?
The canonical SMILES for 1-[5-(1-benzofuran-2-yl)-1H-pyrazol-3-yl]piperidin-3-amine is NC1CCCN(c2cc(-c3cc4ccccc4o3)[nH]n2)C1.
What is the InChIKey of 1-[5-(1-benzofuran-2-yl)-1H-pyrazol-3-yl]piperidin-3-amine?
The InChIKey is GYOVHMGDZJNUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-12-5-3-7-20(10-12)16-9-13(18-19-16)15-8-11-4-1-2-6-14(11)21-15/h1-2,4,6,8-9,12H,3,5,7,10,17H2,(H,18,19).
What are the key properties of 1-[5-(1-benzofuran-2-yl)-1H-pyrazol-3-yl]piperidin-3-amine?
1-[5-(1-benzofuran-2-yl)-1H-pyrazol-3-yl]piperidin-3-amine has a molecular weight of 282.35 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 1-[5-(1-benzofuran-2-yl)-1H-pyrazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 114697842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).