N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

C15H24ClF3N4O — CID 120916408

IUPACN-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCl.Cn1cc(CNC2CCCC2C2COCCN2)c(C(F)(F)F)n1
InChIInChI=1S/C15H23F3N4O.ClH/c1-22-8-10(14(21-22)15(16,17)18)7-20-12-4-2-3-11(12)13-9-23-6-5-19-13;/h8,11-13,19-20H,2-7,9H2,1H3;1H
InChIKeyWUJOZXIIMXGFCV-UHFFFAOYSA-N
MW368.83 g/mol
LogP2.11
Rot. Bonds4

About N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride

N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (PubChem CID 120916408) has the molecular formula C15H24ClF3N4O and a molecular weight of 368.83 g/mol. Its IUPAC name is N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
PubChem CID120916408
Molecular FormulaC15H24ClF3N4O
Molecular Weight368.83 g/mol
Exact Mass368.16
IUPAC NameN-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
SMILESCl.Cn1cc(CNC2CCCC2C2COCCN2)c(C(F)(F)F)n1
InChIInChI=1S/C15H23F3N4O.ClH/c1-22-8-10(14(21-22)15(16,17)18)7-20-12-4-2-3-11(12)13-9-23-6-5-19-13;/h8,11-13,19-20H,2-7,9H2,1H3;1H
InChIKeyWUJOZXIIMXGFCV-UHFFFAOYSA-N
XLogP2.11
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride with MolForge

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915580
N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915279
N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915014
1-[[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
CID 120914014
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120916423
N-[(5-methylthiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915744
N-[(4-fluoro-3-methylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914901
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120913965
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915656
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915590
N-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916214
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914752

Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The IUPAC name of N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride (CID 120916408) is N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride.
What is the SMILES notation for N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The canonical SMILES for N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is Cl.Cn1cc(CNC2CCCC2C2COCCN2)c(C(F)(F)F)n1.
What is the InChIKey of N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
The InChIKey is WUJOZXIIMXGFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O.ClH/c1-22-8-10(14(21-22)15(16,17)18)7-20-12-4-2-3-11(12)13-9-23-6-5-19-13;/h8,11-13,19-20H,2-7,9H2,1H3;1H.
What are the key properties of N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride?
N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride has a molecular weight of 368.83 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120916408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).