N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride

C16H20ClF3N4 — CID 120839609

IUPACN-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCN(Cc1cn[nH]c1-c1ccc(C(F)(F)F)cc1)C1CCNC1.Cl
InChIInChI=1S/C16H19F3N4.ClH/c1-23(14-6-7-20-9-14)10-12-8-21-22-15(12)11-2-4-13(5-3-11)16(17,18)19;/h2-5,8,14,20H,6-7,9-10H2,1H3,(H,21,22);1H
InChIKeyQSFCJQSTPMZAMD-UHFFFAOYSA-N
MW360.81 g/mol
LogP3.31
Rot. Bonds4

About N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride

N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120839609) has the molecular formula C16H20ClF3N4 and a molecular weight of 360.81 g/mol. Its IUPAC name is N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120839609
Molecular FormulaC16H20ClF3N4
Molecular Weight360.81 g/mol
Exact Mass360.13
IUPAC NameN-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCN(Cc1cn[nH]c1-c1ccc(C(F)(F)F)cc1)C1CCNC1.Cl
InChIInChI=1S/C16H19F3N4.ClH/c1-23(14-6-7-20-9-14)10-12-8-21-22-15(12)11-2-4-13(5-3-11)16(17,18)19;/h2-5,8,14,20H,6-7,9-10H2,1H3,(H,21,22);1H
InChIKeyQSFCJQSTPMZAMD-UHFFFAOYSA-N
XLogP3.31
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.81
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride (CID 120839609) is N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride is CN(Cc1cn[nH]c1-c1ccc(C(F)(F)F)cc1)C1CCNC1.Cl.
What is the InChIKey of N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is QSFCJQSTPMZAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4.ClH/c1-23(14-6-7-20-9-14)10-12-8-21-22-15(12)11-2-4-13(5-3-11)16(17,18)19;/h2-5,8,14,20H,6-7,9-10H2,1H3,(H,21,22);1H.
What are the key properties of N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride?
N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 360.81 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120839609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).