4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidin-3-amine

C16H19F3N4 — CID 120909021

IUPAC4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidin-3-amine
SMILESCC1CN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1N
InChIInChI=1S/C16H19F3N4/c1-11-8-22(10-14(11)20)9-12-2-4-13(5-3-12)23-7-6-15(21-23)16(17,18)19/h2-7,11,14H,8-10,20H2,1H3
InChIKeyWGWYNNZCMRFMME-UHFFFAOYSA-N
MW324.35 g/mol
LogP2.67
Rot. Bonds3

About 4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidin-3-amine

4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidin-3-amine (PubChem CID 120909021) has the molecular formula C16H19F3N4 and a molecular weight of 324.35 g/mol. Its IUPAC name is 4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidin-3-amine
PubChem CID120909021
Molecular FormulaC16H19F3N4
Molecular Weight324.35 g/mol
Exact Mass324.16
IUPAC Name4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidin-3-amine
SMILESCC1CN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1N
InChIInChI=1S/C16H19F3N4/c1-11-8-22(10-14(11)20)9-12-2-4-13(5-3-12)23-7-6-15(21-23)16(17,18)19/h2-7,11,14H,8-10,20H2,1H3
InChIKeyWGWYNNZCMRFMME-UHFFFAOYSA-N
XLogP2.67
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidin-3-amine (CID 120909021) is 4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidin-3-amine is CC1CN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1N.
What is the InChIKey of 4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is WGWYNNZCMRFMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4/c1-11-8-22(10-14(11)20)9-12-2-4-13(5-3-12)23-7-6-15(21-23)16(17,18)19/h2-7,11,14H,8-10,20H2,1H3.
What are the key properties of 4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidin-3-amine?
4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 324.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 120909021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).