[3-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine

C15H15N3O — CID 62771000

IUPAC[3-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine
SMILESNCc1occc1Cn1cc(-c2ccccc2)cn1
InChIInChI=1S/C15H15N3O/c16-8-15-13(6-7-19-15)10-18-11-14(9-17-18)12-4-2-1-3-5-12/h1-7,9,11H,8,10,16H2
InChIKeyFBRXGWDHNKOHSZ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.65
Rot. Bonds4

About [3-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine

[3-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine (PubChem CID 62771000) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is [3-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine
PubChem CID62771000
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name[3-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine
SMILESNCc1occc1Cn1cc(-c2ccccc2)cn1
InChIInChI=1S/C15H15N3O/c16-8-15-13(6-7-19-15)10-18-11-14(9-17-18)12-4-2-1-3-5-12/h1-7,9,11H,8,10,16H2
InChIKeyFBRXGWDHNKOHSZ-UHFFFAOYSA-N
XLogP2.65
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine?
The IUPAC name of [3-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine (CID 62771000) is [3-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [3-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine?
The canonical SMILES for [3-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine is NCc1occc1Cn1cc(-c2ccccc2)cn1.
What is the InChIKey of [3-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine?
The InChIKey is FBRXGWDHNKOHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-8-15-13(6-7-19-15)10-18-11-14(9-17-18)12-4-2-1-3-5-12/h1-7,9,11H,8,10,16H2.
What are the key properties of [3-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine?
[3-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine has a molecular weight of 253.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-phenylpyrazol-1-yl)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62771000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).