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

C14H16F3N3S — CID 67089233

IUPACN-methyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCN(Cc1ccc(-c2cc(C(F)(F)F)n(C)n2)s1)C1CC1
InChIInChI=1S/C14H16F3N3S/c1-19(9-3-4-9)8-10-5-6-12(21-10)11-7-13(14(15,16)17)20(2)18-11/h5-7,9H,3-4,8H2,1-2H3
InChIKeyDVXSXUGXJZWECG-UHFFFAOYSA-N
MW315.36 g/mol
LogP3.76
Rot. Bonds4

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

N-methyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 67089233) has the molecular formula C14H16F3N3S and a molecular weight of 315.36 g/mol. Its IUPAC name is N-methyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-methyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]cyclopropanamine
PubChem CID67089233
Molecular FormulaC14H16F3N3S
Molecular Weight315.36 g/mol
Exact Mass315.10
IUPAC NameN-methyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCN(Cc1ccc(-c2cc(C(F)(F)F)n(C)n2)s1)C1CC1
InChIInChI=1S/C14H16F3N3S/c1-19(9-3-4-9)8-10-5-6-12(21-10)11-7-13(14(15,16)17)20(2)18-11/h5-7,9H,3-4,8H2,1-2H3
InChIKeyDVXSXUGXJZWECG-UHFFFAOYSA-N
XLogP3.76
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-methyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]cyclopropanamine (CID 67089233) is N-methyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-methyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-methyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]cyclopropanamine is CN(Cc1ccc(-c2cc(C(F)(F)F)n(C)n2)s1)C1CC1.
What is the InChIKey of N-methyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is DVXSXUGXJZWECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3S/c1-19(9-3-4-9)8-10-5-6-12(21-10)11-7-13(14(15,16)17)20(2)18-11/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of N-methyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]cyclopropanamine?
N-methyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 315.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 67089233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).