N-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine

C12H15Cl2N3O — CID 106693217

IUPACN-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1Cl)c1c(Cl)cnn1C
InChIInChI=1S/C12H15Cl2N3O/c1-3-5-15-10(8-4-6-18-12(8)14)11-9(13)7-16-17(11)2/h4,6-7,10,15H,3,5H2,1-2H3
InChIKeyIFRGTXRBUVTZQF-UHFFFAOYSA-N
MW288.18 g/mol
LogP3.41
Rot. Bonds5

About N-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine

N-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine (PubChem CID 106693217) has the molecular formula C12H15Cl2N3O and a molecular weight of 288.18 g/mol. Its IUPAC name is N-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine
PubChem CID106693217
Molecular FormulaC12H15Cl2N3O
Molecular Weight288.18 g/mol
Exact Mass287.06
IUPAC NameN-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1Cl)c1c(Cl)cnn1C
InChIInChI=1S/C12H15Cl2N3O/c1-3-5-15-10(8-4-6-18-12(8)14)11-9(13)7-16-17(11)2/h4,6-7,10,15H,3,5H2,1-2H3
InChIKeyIFRGTXRBUVTZQF-UHFFFAOYSA-N
XLogP3.41
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]propan-1-amine
CID 106693110
N-[(4-chloro-1-methylpyrazol-5-yl)-(2-chlorophenyl)methyl]propan-1-amine
CID 114649321
N-[(5-chloro-2-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105046381
N-[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 114659883
N-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 114647242
N-[(4-chloro-1-methylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114651569
N-[(2-bromofuran-3-yl)-(4-bromo-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 106858842
N-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 106691644
2-[4-chloro-5-[(2-chlorofuran-3-yl)-(ethylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 106693083
N-[(2-chlorofuran-3-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]ethanamine
CID 106693372
1-(4-chloro-1-methylpyrazol-5-yl)-N-propylpropan-1-amine
CID 114647778
N-[(2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]propan-1-amine
CID 114649324

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine (CID 106693217) is N-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine is CCCNC(c1ccoc1Cl)c1c(Cl)cnn1C.
What is the InChIKey of N-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine?
The InChIKey is IFRGTXRBUVTZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O/c1-3-5-15-10(8-4-6-18-12(8)14)11-9(13)7-16-17(11)2/h4,6-7,10,15H,3,5H2,1-2H3.
What are the key properties of N-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine?
N-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine has a molecular weight of 288.18 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 106693217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).