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

C15H16F3N3 — CID 66477005

IUPACN-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]cyclopropanamine
SMILESCc1ccc(C(F)(F)F)cc1-n1ccc(CNC2CC2)n1
InChIInChI=1S/C15H16F3N3/c1-10-2-3-11(15(16,17)18)8-14(10)21-7-6-13(20-21)9-19-12-4-5-12/h2-3,6-8,12,19H,4-5,9H2,1H3
InChIKeyYWYCHNPYVPTBQJ-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.45
Rot. Bonds4

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

N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]cyclopropanamine (PubChem CID 66477005) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]cyclopropanamine
PubChem CID66477005
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]cyclopropanamine
SMILESCc1ccc(C(F)(F)F)cc1-n1ccc(CNC2CC2)n1
InChIInChI=1S/C15H16F3N3/c1-10-2-3-11(15(16,17)18)8-14(10)21-7-6-13(20-21)9-19-12-4-5-12/h2-3,6-8,12,19H,4-5,9H2,1H3
InChIKeyYWYCHNPYVPTBQJ-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]cyclopropanamine (CID 66477005) is N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]cyclopropanamine is Cc1ccc(C(F)(F)F)cc1-n1ccc(CNC2CC2)n1.
What is the InChIKey of N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]cyclopropanamine?
The InChIKey is YWYCHNPYVPTBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-10-2-3-11(15(16,17)18)8-14(10)21-7-6-13(20-21)9-19-12-4-5-12/h2-3,6-8,12,19H,4-5,9H2,1H3.
What are the key properties of N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]cyclopropanamine?
N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]cyclopropanamine has a molecular weight of 295.31 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66477005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).