[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methanamine

C12H17N3O — CID 106888861

IUPAC[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methanamine
SMILESCC(C)c1nn(C)cc1-c1ccc(CN)o1
InChIInChI=1S/C12H17N3O/c1-8(2)12-10(7-15(3)14-12)11-5-4-9(6-13)16-11/h4-5,7-8H,6,13H2,1-3H3
InChIKeyXHFMKCUKECYBHD-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.26
Rot. Bonds3

About [5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methanamine

[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methanamine (PubChem CID 106888861) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is [5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methanamine
PubChem CID106888861
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methanamine
SMILESCC(C)c1nn(C)cc1-c1ccc(CN)o1
InChIInChI=1S/C12H17N3O/c1-8(2)12-10(7-15(3)14-12)11-5-4-9(6-13)16-11/h4-5,7-8H,6,13H2,1-3H3
InChIKeyXHFMKCUKECYBHD-UHFFFAOYSA-N
XLogP2.26
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888858
4-fluoro-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)aniline
CID 66010551
4-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-3-amine
CID 83166773
N-[[5-(1-methyl-3-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine
CID 106888845
2-[5-(aminomethyl)furan-2-yl]aniline;methanol
CID 153370257
5-chloro-2-(1-methyl-3-propan-2-ylpyrazol-4-yl)aniline
CID 81274679
[5-(1,5-dimethylpyrazol-4-yl)furan-2-yl]methanamine
CID 106888910
1-[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine
CID 106888835
4-[4-(bromomethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole
CID 165451622
[5-(1-ethylpyrazol-3-yl)furan-2-yl]methanamine
CID 130495847
3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenol
CID 165460179
5-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 154770177

Frequently Asked Questions

What is the IUPAC name of [5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methanamine?
The IUPAC name of [5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methanamine (CID 106888861) is [5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methanamine?
The canonical SMILES for [5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methanamine is CC(C)c1nn(C)cc1-c1ccc(CN)o1.
What is the InChIKey of [5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methanamine?
The InChIKey is XHFMKCUKECYBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(2)12-10(7-15(3)14-12)11-5-4-9(6-13)16-11/h4-5,7-8H,6,13H2,1-3H3.
What are the key properties of [5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methanamine?
[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methanamine has a molecular weight of 219.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methanamine is sourced from PubChem (CID 106888861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).