1-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)propan-1-amine

C11H15N3O — CID 62633449

IUPAC1-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
SMILESCCC(NCc1cn[nH]c1)c1ccco1
InChIInChI=1S/C11H15N3O/c1-2-10(11-4-3-5-15-11)12-6-9-7-13-14-8-9/h3-5,7-8,10,12H,2,6H2,1H3,(H,13,14)
InChIKeyKZHRNHDVJOESHL-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.24
Rot. Bonds5

About 1-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)propan-1-amine

1-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)propan-1-amine (PubChem CID 62633449) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
PubChem CID62633449
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
SMILESCCC(NCc1cn[nH]c1)c1ccco1
InChIInChI=1S/C11H15N3O/c1-2-10(11-4-3-5-15-11)12-6-9-7-13-14-8-9/h3-5,7-8,10,12H,2,6H2,1H3,(H,13,14)
InChIKeyKZHRNHDVJOESHL-UHFFFAOYSA-N
XLogP2.24
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 62633957
1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 62990396
4-[[1-(furan-2-yl)propylamino]methyl]benzenesulfonamide
CID 62632675
1-(furan-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 114698636
1-(furan-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62632133
2-[1-(furan-2-yl)propylamino]-N-propan-2-ylacetamide
CID 62633589
1-(furan-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 62634003
N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine
CID 62633441
1-(furan-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 62633450
1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 64548306
1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 80682343
3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
CID 54897637

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 1-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)propan-1-amine (CID 62633449) is 1-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)propan-1-amine is CCC(NCc1cn[nH]c1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)propan-1-amine?
The InChIKey is KZHRNHDVJOESHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-10(11-4-3-5-15-11)12-6-9-7-13-14-8-9/h3-5,7-8,10,12H,2,6H2,1H3,(H,13,14).
What are the key properties of 1-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)propan-1-amine?
1-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)propan-1-amine has a molecular weight of 205.26 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 62633449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).