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

C14H16F3N3O — CID 62442948

IUPACN-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCc1oc(CNC2CC2)cc1Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H16F3N3O/c1-9-10(6-12(21-9)7-18-11-2-3-11)8-20-5-4-13(19-20)14(15,16)17/h4-6,11,18H,2-3,7-8H2,1H3
InChIKeyPDHCDQYMOHYFQF-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.10
Rot. Bonds5

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

N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62442948) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62442948
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC NameN-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCc1oc(CNC2CC2)cc1Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H16F3N3O/c1-9-10(6-12(21-9)7-18-11-2-3-11)8-20-5-4-13(19-20)14(15,16)17/h4-6,11,18H,2-3,7-8H2,1H3
InChIKeyPDHCDQYMOHYFQF-UHFFFAOYSA-N
XLogP3.10
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]propan-2-amine
CID 62442947
N-[[5-methyl-4-[(2-methylimidazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 55073034
N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62443312
N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62426990
N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62412420
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423023
N-[[4-(diethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62439401
N-methyl-1-[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanamine
CID 80728743
N-[[4-(methoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445621
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-2-fluoro-N-methylaniline
CID 62435269
N-[[4-[[ethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62419504
N-[[5-methyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62417298

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine (CID 62442948) is N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine is Cc1oc(CNC2CC2)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]cyclopropanamine?
The InChIKey is PDHCDQYMOHYFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-9-10(6-12(21-9)7-18-11-2-3-11)8-20-5-4-13(19-20)14(15,16)17/h4-6,11,18H,2-3,7-8H2,1H3.
What are the key properties of N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[5-methyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 299.30 g/mol, XLogP of 3.10, 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]cyclopropanamine is sourced from PubChem (CID 62442948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).