N-methyl-1-[5-phenylmethoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]methanamine

C17H20F3N3O — CID 87096231

IUPACN-methyl-1-[5-phenylmethoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]methanamine
SMILESCNCc1cc(OCc2ccccc2)n(CC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C17H20F3N3O/c1-21-10-14-9-15(24-11-13-5-3-2-4-6-13)23(22-14)12-16(7-8-16)17(18,19)20/h2-6,9,21H,7-8,10-12H2,1H3
InChIKeyIUGWZYUBLZSBDX-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.52
Rot. Bonds7

About N-methyl-1-[5-phenylmethoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]methanamine

N-methyl-1-[5-phenylmethoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]methanamine (PubChem CID 87096231) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is N-methyl-1-[5-phenylmethoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-phenylmethoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]methanamine
PubChem CID87096231
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC NameN-methyl-1-[5-phenylmethoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]methanamine
SMILESCNCc1cc(OCc2ccccc2)n(CC2(C(F)(F)F)CC2)n1
InChIInChI=1S/C17H20F3N3O/c1-21-10-14-9-15(24-11-13-5-3-2-4-6-13)23(22-14)12-16(7-8-16)17(18,19)20/h2-6,9,21H,7-8,10-12H2,1H3
InChIKeyIUGWZYUBLZSBDX-UHFFFAOYSA-N
XLogP3.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-phenylmethoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-phenylmethoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]methanamine (CID 87096231) is N-methyl-1-[5-phenylmethoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-phenylmethoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-phenylmethoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]methanamine is CNCc1cc(OCc2ccccc2)n(CC2(C(F)(F)F)CC2)n1.
What is the InChIKey of N-methyl-1-[5-phenylmethoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]methanamine?
The InChIKey is IUGWZYUBLZSBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c1-21-10-14-9-15(24-11-13-5-3-2-4-6-13)23(22-14)12-16(7-8-16)17(18,19)20/h2-6,9,21H,7-8,10-12H2,1H3.
What are the key properties of N-methyl-1-[5-phenylmethoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]methanamine?
N-methyl-1-[5-phenylmethoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]methanamine has a molecular weight of 339.36 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-phenylmethoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-3-yl]methanamine is sourced from PubChem (CID 87096231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).