N-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine

C13H18ClN3O — CID 106691620

IUPACN-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(C)c1)c1ccc(Cl)o1
InChIInChI=1S/C13H18ClN3O/c1-3-6-15-11(12-4-5-13(14)18-12)7-10-8-16-17(2)9-10/h4-5,8-9,11,15H,3,6-7H2,1-2H3
InChIKeyHOJYFROVHTZXKW-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.95
Rot. Bonds6

About N-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine

N-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 106691620) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is N-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID106691620
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC NameN-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(C)c1)c1ccc(Cl)o1
InChIInChI=1S/C13H18ClN3O/c1-3-6-15-11(12-4-5-13(14)18-12)7-10-8-16-17(2)9-10/h4-5,8-9,11,15H,3,6-7H2,1-2H3
InChIKeyHOJYFROVHTZXKW-UHFFFAOYSA-N
XLogP2.95
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-chlorofuran-2-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064238
N-[1-(5-chlorofuran-2-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine
CID 106691522
N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 115821504
N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 114878627
N-[2-(1-methylpyrazol-4-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105113854
N-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107065126
N-[2-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 43497238
N-[2-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115821369
N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 105113863
3-methyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 62127298
N-[1-(4-fluoro-3-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62126627
N-[1-(5-chlorofuran-2-yl)-2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 106687830

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine (CID 106691620) is N-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1cnn(C)c1)c1ccc(Cl)o1.
What is the InChIKey of N-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is HOJYFROVHTZXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-3-6-15-11(12-4-5-13(14)18-12)7-10-8-16-17(2)9-10/h4-5,8-9,11,15H,3,6-7H2,1-2H3.
What are the key properties of N-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
N-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 267.76 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106691620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).