[5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine

C10H13N3O — CID 106888910

IUPAC[5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine
SMILESCc1c(-c2ccc(CN)o2)cnn1C
InChIInChI=1S/C10H13N3O/c1-7-9(6-12-13(7)2)10-4-3-8(5-11)14-10/h3-4,6H,5,11H2,1-2H3
InChIKeyLAKGEQFEAFLHJL-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.45
Rot. Bonds2

About [5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine

[5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine (PubChem CID 106888910) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is [5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine
PubChem CID106888910
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name[5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine
SMILESCc1c(-c2ccc(CN)o2)cnn1C
InChIInChI=1S/C10H13N3O/c1-7-9(6-12-13(7)2)10-4-3-8(5-11)14-10/h3-4,6H,5,11H2,1-2H3
InChIKeyLAKGEQFEAFLHJL-UHFFFAOYSA-N
XLogP1.45
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine
CID 79584303
[4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine
CID 66097207
[5-(1,5-dimethylpyrazol-4-yl)-4-methoxy-1,3-oxazol-2-yl]methanamine
CID 96606598
2-[5-(aminomethyl)furan-2-yl]aniline;methanol
CID 153370257
2-(1,5-dimethylpyrazol-4-yl)aniline
CID 66096169
[5-chloro-2-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine
CID 66156710
[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methanamine
CID 106888861
2-(1,5-dimethylpyrazol-4-yl)-6-methylpyridin-3-amine;ethane
CID 169253840
[5-(5-methyl-1H-imidazol-2-yl)furan-2-yl]methanamine
CID 103386742
[5-(2,3,4-trimethoxyphenyl)furan-2-yl]methanamine
CID 106888714
[5-(1-ethylpyrazol-3-yl)furan-2-yl]methanamine
CID 130495847
[5-(2,5-dimethoxyphenyl)furan-2-yl]methanamine
CID 106887065

Frequently Asked Questions

What is the IUPAC name of [5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine?
The IUPAC name of [5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine (CID 106888910) is [5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine?
The canonical SMILES for [5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine is Cc1c(-c2ccc(CN)o2)cnn1C.
What is the InChIKey of [5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine?
The InChIKey is LAKGEQFEAFLHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7-9(6-12-13(7)2)10-4-3-8(5-11)14-10/h3-4,6H,5,11H2,1-2H3.
What are the key properties of [5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine?
[5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine has a molecular weight of 191.23 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine is sourced from PubChem (CID 106888910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).