(2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine

C12H17N3O — CID 104789813

IUPAC(2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(N)c2ccoc2C)cn1
InChIInChI=1S/C12H17N3O/c1-3-5-15-8-10(7-14-15)12(13)11-4-6-16-9(11)2/h4,6-8,12H,3,5,13H2,1-2H3
InChIKeyRMTHSRXXHVMJKQ-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.24
Rot. Bonds4

About (2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine

(2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine (PubChem CID 104789813) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine
PubChem CID104789813
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(N)c2ccoc2C)cn1
InChIInChI=1S/C12H17N3O/c1-3-5-15-8-10(7-14-15)12(13)11-4-6-16-9(11)2/h4,6-8,12H,3,5,13H2,1-2H3
InChIKeyRMTHSRXXHVMJKQ-UHFFFAOYSA-N
XLogP2.24
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine
CID 115807774
isoquinolin-1-yl-(1-propylpyrazol-4-yl)methanamine
CID 63950472
4-[amino-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylaniline
CID 105103926
(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115807748
N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine
CID 104805056
(2-methylfuran-3-yl)-(4-methylphenyl)methanamine
CID 43463987
(2-ethylpyrazol-3-yl)-(2-methylfuran-3-yl)methanamine
CID 104789763
(1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine
CID 63988738
(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 115808279
(1-propylpyrazol-4-yl)-(2,4,6-trifluorophenyl)methanamine
CID 115808100
(3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine
CID 113398477
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 115807994

Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine?
The IUPAC name of (2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine (CID 104789813) is (2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for (2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for (2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine is CCCn1cc(C(N)c2ccoc2C)cn1.
What is the InChIKey of (2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine?
The InChIKey is RMTHSRXXHVMJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-5-15-8-10(7-14-15)12(13)11-4-6-16-9(11)2/h4,6-8,12H,3,5,13H2,1-2H3.
What are the key properties of (2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine?
(2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine has a molecular weight of 219.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-(1-propylpyrazol-4-yl)methanamine is sourced from PubChem (CID 104789813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).