N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-1-(1-methylpyrazol-3-yl)ethanamine

C14H17N5O — CID 19627672

IUPACN-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCC(NCc1cc(-c2ccco2)n[nH]1)c1ccn(C)n1
InChIInChI=1S/C14H17N5O/c1-10(12-5-6-19(2)18-12)15-9-11-8-13(17-16-11)14-4-3-7-20-14/h3-8,10,15H,9H2,1-2H3,(H,16,17)
InChIKeyWOOOPTUGTUCTQR-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.25
Rot. Bonds5

About N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-1-(1-methylpyrazol-3-yl)ethanamine

N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-1-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 19627672) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-1-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-1-(1-methylpyrazol-3-yl)ethanamine
PubChem CID19627672
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCC(NCc1cc(-c2ccco2)n[nH]1)c1ccn(C)n1
InChIInChI=1S/C14H17N5O/c1-10(12-5-6-19(2)18-12)15-9-11-8-13(17-16-11)14-4-3-7-20-14/h3-8,10,15H,9H2,1-2H3,(H,16,17)
InChIKeyWOOOPTUGTUCTQR-UHFFFAOYSA-N
XLogP2.25
TPSA71.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine
CID 16190066
N-(furan-2-ylmethyl)-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 5307834
1-[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]methanamine
CID 16190191
1-(4-fluorophenyl)-4-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}-1,4-diazepane
CID 56884532
1-[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine
CID 70783527
(S)-N-(1-(3-(4-cyano-3-methylphenyl)-1H-pyrazol-1-yl)propan-2-yl)-3-(furan-2-yl)-1H-pyrazole-5-carboxamide
CID 52919708
US11026923, Example 202
CID 155773327
N-[2-(dimethylamino)ethyl]-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 5308038
1-[(3-methylpyridin-2-yl)methyl]-4-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}piperazine
CID 50953242
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 53536230
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 53566927
(2S,4S)-4-amino-N-ethyl-1-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}pyrrolidine-2-carboxamide
CID 56709916

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-1-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-1-(1-methylpyrazol-3-yl)ethanamine (CID 19627672) is N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-1-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-1-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-1-(1-methylpyrazol-3-yl)ethanamine is CC(NCc1cc(-c2ccco2)n[nH]1)c1ccn(C)n1.
What is the InChIKey of N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-1-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is WOOOPTUGTUCTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-10(12-5-6-19(2)18-12)15-9-11-8-13(17-16-11)14-4-3-7-20-14/h3-8,10,15H,9H2,1-2H3,(H,16,17).
What are the key properties of N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-1-(1-methylpyrazol-3-yl)ethanamine?
N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-1-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 271.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-yl)-1H-pyrazol-5-yl]methyl]-1-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 19627672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).