N-(1-benzofuran-3-ylmethyl)-1-propan-2-ylpyrazol-4-amine

C15H17N3O — CID 80701571

IUPACN-(1-benzofuran-3-ylmethyl)-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1cc(NCc2coc3ccccc23)cn1
InChIInChI=1S/C15H17N3O/c1-11(2)18-9-13(8-17-18)16-7-12-10-19-15-6-4-3-5-14(12)15/h3-6,8-11,16H,7H2,1-2H3
InChIKeyLSPQQGDCWYSIPW-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.82
Rot. Bonds4

About N-(1-benzofuran-3-ylmethyl)-1-propan-2-ylpyrazol-4-amine

N-(1-benzofuran-3-ylmethyl)-1-propan-2-ylpyrazol-4-amine (PubChem CID 80701571) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-1-propan-2-ylpyrazol-4-amine
PubChem CID80701571
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(1-benzofuran-3-ylmethyl)-1-propan-2-ylpyrazol-4-amine
SMILESCC(C)n1cc(NCc2coc3ccccc23)cn1
InChIInChI=1S/C15H17N3O/c1-11(2)18-9-13(8-17-18)16-7-12-10-19-15-6-4-3-5-14(12)15/h3-6,8-11,16H,7H2,1-2H3
InChIKeyLSPQQGDCWYSIPW-UHFFFAOYSA-N
XLogP3.82
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazol-4-amine
CID 62903365
N-(1-benzofuran-3-ylmethyl)-6-bromopyridin-3-amine
CID 103934299
N-(1H-indol-4-ylmethyl)-1-propan-2-ylpyrazol-4-amine
CID 62999793
N-[(3-methylfuran-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 115749351
N-(1-benzofuran-3-ylmethyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 80700989
N-(1-benzofuran-3-ylmethyl)but-3-yn-2-amine
CID 114414908
1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine
CID 62904044
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62904419
2-(1-benzofuran-3-ylmethylamino)propanenitrile
CID 115130217
1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 62902813
N-[(3-chloro-4-fluorophenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 81145371
N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine
CID 79690307

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-propan-2-ylpyrazol-4-amine (CID 80701571) is N-(1-benzofuran-3-ylmethyl)-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-1-propan-2-ylpyrazol-4-amine is CC(C)n1cc(NCc2coc3ccccc23)cn1.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-1-propan-2-ylpyrazol-4-amine?
The InChIKey is LSPQQGDCWYSIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11(2)18-9-13(8-17-18)16-7-12-10-19-15-6-4-3-5-14(12)15/h3-6,8-11,16H,7H2,1-2H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-1-propan-2-ylpyrazol-4-amine?
N-(1-benzofuran-3-ylmethyl)-1-propan-2-ylpyrazol-4-amine has a molecular weight of 255.32 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 80701571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).