(2R)-2-[(3S)-3-methylmorpholin-4-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine

C16H30N4O — CID 99849127

IUPAC(2R)-2-[(3S)-3-methylmorpholin-4-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCC(C)n1cc([C@H](C)NC[C@@H](C)N2CCOC[C@@H]2C)cn1
InChIInChI=1S/C16H30N4O/c1-12(2)20-10-16(9-18-20)15(5)17-8-13(3)19-6-7-21-11-14(19)4/h9-10,12-15,17H,6-8,11H2,1-5H3/t13-,14+,15+/m1/s1
InChIKeyNULZPEAUTAOABS-ILXRZTDVSA-N
MW294.44 g/mol
LogP2.22
Rot. Bonds6

About (2R)-2-[(3S)-3-methylmorpholin-4-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine

(2R)-2-[(3S)-3-methylmorpholin-4-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 99849127) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is (2R)-2-[(3S)-3-methylmorpholin-4-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name(2R)-2-[(3S)-3-methylmorpholin-4-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID99849127
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name(2R)-2-[(3S)-3-methylmorpholin-4-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCC(C)n1cc([C@H](C)NC[C@@H](C)N2CCOC[C@@H]2C)cn1
InChIInChI=1S/C16H30N4O/c1-12(2)20-10-16(9-18-20)15(5)17-8-13(3)19-6-7-21-11-14(19)4/h9-10,12-15,17H,6-8,11H2,1-5H3/t13-,14+,15+/m1/s1
InChIKeyNULZPEAUTAOABS-ILXRZTDVSA-N
XLogP2.22
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]ethan-1-amine
CID 62729330
2-(1-methyl-1H-pyrazol-4-yl)morpholine
CID 71695337
2-(1-methyl-1H-pyrazol-4-yl)piperazine
CID 75480342
N,N-dimethyl-2-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide
CID 75428135
3-(1-methyl-1H-pyrazol-4-yl)morpholine
CID 82413718
1-(2-Ethoxyethyl)-2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 53609485
N-(2-methyl-2-morpholin-4-ylpropyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]acetamide
CID 72142061
2-(3-methylmorpholin-4-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine
CID 86779485
(2R)-1-(2,2-dimethylmorpholin-4-yl)-2-(methylamino)-2-(1-methylpyrazol-4-yl)ethanone
CID 164633430
(3S)-4-(4-ethylpyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine
CID 146568024
3-(4-methylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-2-amine
CID 53575449
1-(4-methylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 53607175

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S)-3-methylmorpholin-4-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of (2R)-2-[(3S)-3-methylmorpholin-4-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine (CID 99849127) is (2R)-2-[(3S)-3-methylmorpholin-4-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for (2R)-2-[(3S)-3-methylmorpholin-4-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for (2R)-2-[(3S)-3-methylmorpholin-4-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine is CC(C)n1cc([C@H](C)NC[C@@H](C)N2CCOC[C@@H]2C)cn1.
What is the InChIKey of (2R)-2-[(3S)-3-methylmorpholin-4-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is NULZPEAUTAOABS-ILXRZTDVSA-N. The full InChI is InChI=1S/C16H30N4O/c1-12(2)20-10-16(9-18-20)15(5)17-8-13(3)19-6-7-21-11-14(19)4/h9-10,12-15,17H,6-8,11H2,1-5H3/t13-,14+,15+/m1/s1.
What are the key properties of (2R)-2-[(3S)-3-methylmorpholin-4-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine?
(2R)-2-[(3S)-3-methylmorpholin-4-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S)-3-methylmorpholin-4-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 99849127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).