N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-2-amine

C14H18F3N3O — CID 62442947

IUPACN-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-2-amine
SMILESCc1oc(CNC(C)C)cc1Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H18F3N3O/c1-9(2)18-7-12-6-11(10(3)21-12)8-20-5-4-13(19-20)14(15,16)17/h4-6,9,18H,7-8H2,1-3H3
InChIKeyITULHFFNSKVYPF-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.35
Rot. Bonds5

About N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-2-amine

N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 62442947) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-2-amine
PubChem CID62442947
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC NameN-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-2-amine
SMILESCc1oc(CNC(C)C)cc1Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H18F3N3O/c1-9(2)18-7-12-6-11(10(3)21-12)8-20-5-4-13(19-20)14(15,16)17/h4-6,9,18H,7-8H2,1-3H3
InChIKeyITULHFFNSKVYPF-UHFFFAOYSA-N
XLogP3.35
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62442948
N-[[4-(1,3-dihydroisoindol-2-ylmethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62438593
2-methyl-N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-1-amine
CID 62441173
N-methyl-1-[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanamine
CID 80728743
4,5-dimethyl-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-oxazole
CID 113229069
N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62417062
N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62431233
N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62426825
N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62412465
[4-fluoro-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine
CID 64765568
N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62440402
N-[[4-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine
CID 105406253

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-2-amine (CID 62442947) is N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-2-amine is Cc1oc(CNC(C)C)cc1Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is ITULHFFNSKVYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-9(2)18-7-12-6-11(10(3)21-12)8-20-5-4-13(19-20)14(15,16)17/h4-6,9,18H,7-8H2,1-3H3.
What are the key properties of N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-2-amine?
N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 301.31 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62442947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).