cis-(1S,3R)-3-fluoro-N-[[5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,4-dimethylpyrazol-3-yl]methyl]cyclopentan-1-amine

C18H20F5N3 — CID 45269228

IUPACcis-(1S,3R)-3-fluoro-N-[[5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,4-dimethylpyrazol-3-yl]methyl]cyclopentan-1-amine
SMILESCc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H20F5N3/c1-10-16(9-24-15-4-3-13(19)8-15)25-26(2)17(10)11-5-12(18(21,22)23)7-14(20)6-11/h5-7,13,15,24H,3-4,8-9H2,1-2H3/t13-,15+/m1/s1
InChIKeyGEYZUIQCDURJOF-HIFRSBDPSA-N
MW373.37 g/mol
LogP4.53
Rot. Bonds4

About cis-(1S,3R)-3-fluoro-N-[[5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,4-dimethylpyrazol-3-yl]methyl]cyclopentan-1-amine

cis-(1S,3R)-3-fluoro-N-[[5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,4-dimethylpyrazol-3-yl]methyl]cyclopentan-1-amine (PubChem CID 45269228) has the molecular formula C18H20F5N3 and a molecular weight of 373.37 g/mol. Its IUPAC name is cis-(1S,3R)-3-fluoro-N-[[5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,4-dimethylpyrazol-3-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-fluoro-N-[[5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,4-dimethylpyrazol-3-yl]methyl]cyclopentan-1-amine
PubChem CID45269228
Molecular FormulaC18H20F5N3
Molecular Weight373.37 g/mol
Exact Mass373.16
IUPAC Namecis-(1S,3R)-3-fluoro-N-[[5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,4-dimethylpyrazol-3-yl]methyl]cyclopentan-1-amine
SMILESCc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H20F5N3/c1-10-16(9-24-15-4-3-13(19)8-15)25-26(2)17(10)11-5-12(18(21,22)23)7-14(20)6-11/h5-7,13,15,24H,3-4,8-9H2,1-2H3/t13-,15+/m1/s1
InChIKeyGEYZUIQCDURJOF-HIFRSBDPSA-N
XLogP4.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-fluoro-N-[[5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,4-dimethylpyrazol-3-yl]methyl]cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-fluoro-N-[[5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,4-dimethylpyrazol-3-yl]methyl]cyclopentan-1-amine (CID 45269228) is cis-(1S,3R)-3-fluoro-N-[[5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,4-dimethylpyrazol-3-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-fluoro-N-[[5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,4-dimethylpyrazol-3-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-fluoro-N-[[5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,4-dimethylpyrazol-3-yl]methyl]cyclopentan-1-amine is Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of cis-(1S,3R)-3-fluoro-N-[[5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,4-dimethylpyrazol-3-yl]methyl]cyclopentan-1-amine?
The InChIKey is GEYZUIQCDURJOF-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H20F5N3/c1-10-16(9-24-15-4-3-13(19)8-15)25-26(2)17(10)11-5-12(18(21,22)23)7-14(20)6-11/h5-7,13,15,24H,3-4,8-9H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of cis-(1S,3R)-3-fluoro-N-[[5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,4-dimethylpyrazol-3-yl]methyl]cyclopentan-1-amine?
cis-(1S,3R)-3-fluoro-N-[[5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,4-dimethylpyrazol-3-yl]methyl]cyclopentan-1-amine has a molecular weight of 373.37 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-fluoro-N-[[5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,4-dimethylpyrazol-3-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 45269228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).