1-(furan-2-yl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine

C9H11N3O — CID 82237956

IUPAC1-(furan-2-yl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine
SMILESCNC(c1cn[nH]c1)c1ccco1
InChIInChI=1S/C9H11N3O/c1-10-9(7-5-11-12-6-7)8-3-2-4-13-8/h2-6,9-10H,1H3,(H,11,12)
InChIKeyACDRHFSVNYNZRF-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.31
Rot. Bonds3

About 1-(furan-2-yl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine

1-(furan-2-yl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine (PubChem CID 82237956) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine
PubChem CID82237956
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1-(furan-2-yl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine
SMILESCNC(c1cn[nH]c1)c1ccco1
InChIInChI=1S/C9H11N3O/c1-10-9(7-5-11-12-6-7)8-3-2-4-13-8/h2-6,9-10H,1H3,(H,11,12)
InChIKeyACDRHFSVNYNZRF-UHFFFAOYSA-N
XLogP1.31
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(furan-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 90212494
N-methyl-1-(3-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine
CID 82237954
1-(3,4-dimethylphenyl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 82237918
N-methyl-1-(5-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine
CID 82237920
1-(furan-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine
CID 106209160
1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43485984
N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide
CID 103855985
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1H-pyrazol-4-amine
CID 43776859
1-(furan-2-yl)-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
CID 62633449
1-(furan-2-yl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 63949984
7-[furan-2-yl(methylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 43483117
1-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 43626241

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine?
The IUPAC name of 1-(furan-2-yl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine (CID 82237956) is 1-(furan-2-yl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine is CNC(c1cn[nH]c1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine?
The InChIKey is ACDRHFSVNYNZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-10-9(7-5-11-12-6-7)8-3-2-4-13-8/h2-6,9-10H,1H3,(H,11,12).
What are the key properties of 1-(furan-2-yl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine?
1-(furan-2-yl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine has a molecular weight of 177.21 g/mol, XLogP of 1.31, 3 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-methyl-1-(1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 82237956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).