1-(furan-2-yl)-N,N-bis(pyrazol-1-ylmethyl)methanamine

C13H15N5O — CID 122369866

IUPAC1-(furan-2-yl)-N,N-bis(pyrazol-1-ylmethyl)methanamine
SMILESc1coc(CN(Cn2cccn2)Cn2cccn2)c1
InChIInChI=1S/C13H15N5O/c1-4-13(19-9-1)10-16(11-17-7-2-5-14-17)12-18-8-3-6-15-18/h1-9H,10-12H2
InChIKeyIRWIMVBWOVGUEB-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.79
Rot. Bonds6

About 1-(furan-2-yl)-N,N-bis(pyrazol-1-ylmethyl)methanamine

1-(furan-2-yl)-N,N-bis(pyrazol-1-ylmethyl)methanamine (PubChem CID 122369866) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-(furan-2-yl)-N,N-bis(pyrazol-1-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N,N-bis(pyrazol-1-ylmethyl)methanamine
PubChem CID122369866
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name1-(furan-2-yl)-N,N-bis(pyrazol-1-ylmethyl)methanamine
SMILESc1coc(CN(Cn2cccn2)Cn2cccn2)c1
InChIInChI=1S/C13H15N5O/c1-4-13(19-9-1)10-16(11-17-7-2-5-14-17)12-18-8-3-6-15-18/h1-9H,10-12H2
InChIKeyIRWIMVBWOVGUEB-UHFFFAOYSA-N
XLogP1.79
TPSA52.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
N-(furan-2-ylmethyl)-N-pentylpentan-1-amine
CID 86163523
N-(furan-2-ylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 130677953
N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine
CID 60970119
2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 79245146
1-(furan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47176690
(2R)-1-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]-3-pyrazol-1-ylpropan-2-ol
CID 95774408
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
CID 61420775
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
(1R,2S,6R,7R)-4-[[[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]methyl-(furan-2-ylmethyl)amino]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 125027432
3-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine
CID 62465389
2-N,2-N-bis(furan-2-ylmethyl)propane-1,2-diamine
CID 174709691

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N,N-bis(pyrazol-1-ylmethyl)methanamine?
The IUPAC name of 1-(furan-2-yl)-N,N-bis(pyrazol-1-ylmethyl)methanamine (CID 122369866) is 1-(furan-2-yl)-N,N-bis(pyrazol-1-ylmethyl)methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N,N-bis(pyrazol-1-ylmethyl)methanamine?
The canonical SMILES for 1-(furan-2-yl)-N,N-bis(pyrazol-1-ylmethyl)methanamine is c1coc(CN(Cn2cccn2)Cn2cccn2)c1.
What is the InChIKey of 1-(furan-2-yl)-N,N-bis(pyrazol-1-ylmethyl)methanamine?
The InChIKey is IRWIMVBWOVGUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-4-13(19-9-1)10-16(11-17-7-2-5-14-17)12-18-8-3-6-15-18/h1-9H,10-12H2.
What are the key properties of 1-(furan-2-yl)-N,N-bis(pyrazol-1-ylmethyl)methanamine?
1-(furan-2-yl)-N,N-bis(pyrazol-1-ylmethyl)methanamine has a molecular weight of 257.30 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N,N-bis(pyrazol-1-ylmethyl)methanamine is sourced from PubChem (CID 122369866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).