N-(furan-2-ylmethyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]prop-2-en-1-amine

C16H17N3O2 — CID 46997086

IUPACN-(furan-2-ylmethyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]prop-2-en-1-amine
SMILESC=CCN(Cc1ccco1)Cc1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C16H17N3O2/c1-2-9-19(11-13-4-3-10-20-13)12-14-5-6-16(21-14)15-7-8-17-18-15/h2-8,10H,1,9,11-12H2,(H,17,18)
InChIKeyAIAYMHKQNZFLTM-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.45
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]prop-2-en-1-amine

N-(furan-2-ylmethyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]prop-2-en-1-amine (PubChem CID 46997086) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]prop-2-en-1-amine
PubChem CID46997086
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(furan-2-ylmethyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]prop-2-en-1-amine
SMILESC=CCN(Cc1ccco1)Cc1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C16H17N3O2/c1-2-9-19(11-13-4-3-10-20-13)12-14-5-6-16(21-14)15-7-8-17-18-15/h2-8,10H,1,9,11-12H2,(H,17,18)
InChIKeyAIAYMHKQNZFLTM-UHFFFAOYSA-N
XLogP3.45
TPSA58.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]prop-2-en-1-amine (CID 46997086) is N-(furan-2-ylmethyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]prop-2-en-1-amine is C=CCN(Cc1ccco1)Cc1ccc(-c2ccn[nH]2)o1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]prop-2-en-1-amine?
The InChIKey is AIAYMHKQNZFLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-9-19(11-13-4-3-10-20-13)12-14-5-6-16(21-14)15-7-8-17-18-15/h2-8,10H,1,9,11-12H2,(H,17,18).
What are the key properties of N-(furan-2-ylmethyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]prop-2-en-1-amine?
N-(furan-2-ylmethyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]prop-2-en-1-amine has a molecular weight of 283.33 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 46997086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).