1-(furan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine

C9H11N3O — CID 63001149

IUPAC1-(furan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESc1cc(CNCc2ccoc2)[nH]n1
InChIInChI=1S/C9H11N3O/c1-3-11-12-9(1)6-10-5-8-2-4-13-7-8/h1-4,7,10H,5-6H2,(H,11,12)
InChIKeyOTYLUKUIPVBXET-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.29
Rot. Bonds4

About 1-(furan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine

1-(furan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine (PubChem CID 63001149) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
PubChem CID63001149
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1-(furan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESc1cc(CNCc2ccoc2)[nH]n1
InChIInChI=1S/C9H11N3O/c1-3-11-12-9(1)6-10-5-8-2-4-13-7-8/h1-4,7,10H,5-6H2,(H,11,12)
InChIKeyOTYLUKUIPVBXET-UHFFFAOYSA-N
XLogP1.29
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
1-(furan-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 63204693
N-(furan-3-ylmethyl)-1-(1H-pyrazol-5-yl)ethanamine
CID 115641749
1-naphthalen-2-yl-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285657
N-(furan-3-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine
CID 115686118
[3-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methanol;hydrochloride
CID 115615868
N-ethyl-N-[[4-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 43662461
N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine
CID 60980930
N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 61284669
1-(1H-pyrazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60979310
1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine
CID 79493496

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(furan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine (CID 63001149) is 1-(furan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(furan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine is c1cc(CNCc2ccoc2)[nH]n1.
What is the InChIKey of 1-(furan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
The InChIKey is OTYLUKUIPVBXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-3-11-12-9(1)6-10-5-8-2-4-13-7-8/h1-4,7,10H,5-6H2,(H,11,12).
What are the key properties of 1-(furan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
1-(furan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine has a molecular weight of 177.21 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine is sourced from PubChem (CID 63001149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).