(4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine

C13H18ClN3O — CID 105042547

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)c1ccc(CC)o1
InChIInChI=1S/C13H18ClN3O/c1-3-7-17-13(10(14)8-16-17)12(15)11-6-5-9(4-2)18-11/h5-6,8,12H,3-4,7,15H2,1-2H3
InChIKeyVGLBITLNPPYYGB-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.15
Rot. Bonds5

About (4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine

(4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine (PubChem CID 105042547) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine
PubChem CID105042547
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine
SMILESCCCn1ncc(Cl)c1C(N)c1ccc(CC)o1
InChIInChI=1S/C13H18ClN3O/c1-3-7-17-13(10(14)8-16-17)12(15)11-6-5-9(4-2)18-11/h5-6,8,12H,3-4,7,15H2,1-2H3
InChIKeyVGLBITLNPPYYGB-UHFFFAOYSA-N
XLogP3.15
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(3-ethyl-4-pyridinyl)methanamine
CID 114659896
4-[amino-(4-chloro-1-propylpyrazol-5-yl)methyl]-N,N-dimethylaniline
CID 105184141
(4-chloro-1-propylpyrazol-5-yl)-(4-ethylsulfanylphenyl)methanamine
CID 106848481
(4-chloro-1-propylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanamine
CID 105184173
[(4-bromo-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methyl]hydrazine
CID 105336675
2-[5-[amino-(5-bromofuran-2-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105039087
(4-chloro-1-propylpyrazol-5-yl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503108
(4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine
CID 105042475
(4-chloro-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 107969126
(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine
CID 114658703
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine
CID 114648638
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylpentan-1-amine
CID 105042585

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine (CID 105042547) is (4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine is CCCn1ncc(Cl)c1C(N)c1ccc(CC)o1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine?
The InChIKey is VGLBITLNPPYYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-3-7-17-13(10(14)8-16-17)12(15)11-6-5-9(4-2)18-11/h5-6,8,12H,3-4,7,15H2,1-2H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine?
(4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine has a molecular weight of 267.76 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methanamine is sourced from PubChem (CID 105042547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).