N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine

C17H24N4O2 — CID 95160738

IUPACN-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
SMILESCOc1ccc(-c2[nH]ncc2CNC[C@H]2CN(C)CCO2)cc1
InChIInChI=1S/C17H24N4O2/c1-21-7-8-23-16(12-21)11-18-9-14-10-19-20-17(14)13-3-5-15(22-2)6-4-13/h3-6,10,16,18H,7-9,11-12H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyIMEVCHKEENDLPJ-INIZCTEOSA-N
MW316.40 g/mol
LogP1.51
Rot. Bonds6

About N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine

N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine (PubChem CID 95160738) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
PubChem CID95160738
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
SMILESCOc1ccc(-c2[nH]ncc2CNC[C@H]2CN(C)CCO2)cc1
InChIInChI=1S/C17H24N4O2/c1-21-7-8-23-16(12-21)11-18-9-14-10-19-20-17(14)13-3-5-15(22-2)6-4-13/h3-6,10,16,18H,7-9,11-12H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyIMEVCHKEENDLPJ-INIZCTEOSA-N
XLogP1.51
TPSA62.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95977930
1-[(3S)-1-ethylpyrrolidin-3-yl]-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 94194229
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95758011
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(oxan-3-yl)methanamine;hydrochloride
CID 56816245
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 94514892
N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95334871
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 40578642
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 40592688
2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 17450711
N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 119123092
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 86913988
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 79032915

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine?
The IUPAC name of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine (CID 95160738) is N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine.
What is the SMILES notation for N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine?
The canonical SMILES for N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine is COc1ccc(-c2[nH]ncc2CNC[C@H]2CN(C)CCO2)cc1.
What is the InChIKey of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine?
The InChIKey is IMEVCHKEENDLPJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-21-7-8-23-16(12-21)11-18-9-14-10-19-20-17(14)13-3-5-15(22-2)6-4-13/h3-6,10,16,18H,7-9,11-12H2,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine?
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine has a molecular weight of 316.40 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine is sourced from PubChem (CID 95160738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).