N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine

C16H25N3O2 — CID 105048857

IUPACN-[(2,5-dimethylfuran-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
SMILESCCCn1ncc(OC)c1C(NCC)c1cc(C)oc1C
InChIInChI=1S/C16H25N3O2/c1-6-8-19-16(14(20-5)10-18-19)15(17-7-2)13-9-11(3)21-12(13)4/h9-10,15,17H,6-8H2,1-5H3
InChIKeyLHZGSUCVAMSTIC-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.21
Rot. Bonds7

About N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine

N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine (PubChem CID 105048857) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
PubChem CID105048857
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[(2,5-dimethylfuran-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
SMILESCCCn1ncc(OC)c1C(NCC)c1cc(C)oc1C
InChIInChI=1S/C16H25N3O2/c1-6-8-19-16(14(20-5)10-18-19)15(17-7-2)13-9-11(3)21-12(13)4/h9-10,15,17H,6-8H2,1-5H3
InChIKeyLHZGSUCVAMSTIC-UHFFFAOYSA-N
XLogP3.21
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxy-1-propylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 114660721
N-[(2,5-dichlorothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
CID 107969232
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 105040716
N-[(4-methoxy-1-propylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105187101
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 105048721
1-(5-chlorofuran-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 106693264
N-[(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethyl]ethanamine
CID 114652303
N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-2,5-dimethylphenyl)methyl]ethanamine
CID 105032873
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine
CID 114649130
N-[(3-bromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105048861
N-ethyl-2-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114657709
N-[(2,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 43490696

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine (CID 105048857) is N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine is CCCn1ncc(OC)c1C(NCC)c1cc(C)oc1C.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine?
The InChIKey is LHZGSUCVAMSTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-6-8-19-16(14(20-5)10-18-19)15(17-7-2)13-9-11(3)21-12(13)4/h9-10,15,17H,6-8H2,1-5H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine?
N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine has a molecular weight of 291.40 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105048857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).