2-[1-methyl-5-[(2S)-2-methylmorpholin-4-yl]pyrazole-3-carboximidoyl]-4-propan-2-yloxyaniline

C19H27N5O2 — CID 144694333

IUPAC2-[1-methyl-5-[(2S)-2-methylmorpholin-4-yl]pyrazole-3-carboximidoyl]-4-propan-2-yloxyaniline
SMILES[H]/N=C(\c1cc(N2CCO[C@@H](C)C2)n(C)n1)c1cc(OC(C)C)ccc1N
InChIInChI=1S/C19H27N5O2/c1-12(2)26-14-5-6-16(20)15(9-14)19(21)17-10-18(23(4)22-17)24-7-8-25-13(3)11-24/h5-6,9-10,12-13,21H,7-8,11,20H2,1-4H3/b21-19-/t13-/m0/s1
InChIKeyLCYZSVNMVWXSCR-OMEIHDDLSA-N
MW357.46 g/mol
LogP2.43
Rot. Bonds5

About 2-[1-methyl-5-[(2S)-2-methylmorpholin-4-yl]pyrazole-3-carboximidoyl]-4-propan-2-yloxyaniline

2-[1-methyl-5-[(2S)-2-methylmorpholin-4-yl]pyrazole-3-carboximidoyl]-4-propan-2-yloxyaniline (PubChem CID 144694333) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-[1-methyl-5-[(2S)-2-methylmorpholin-4-yl]pyrazole-3-carboximidoyl]-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name2-[1-methyl-5-[(2S)-2-methylmorpholin-4-yl]pyrazole-3-carboximidoyl]-4-propan-2-yloxyaniline
PubChem CID144694333
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name2-[1-methyl-5-[(2S)-2-methylmorpholin-4-yl]pyrazole-3-carboximidoyl]-4-propan-2-yloxyaniline
SMILES[H]/N=C(\c1cc(N2CCO[C@@H](C)C2)n(C)n1)c1cc(OC(C)C)ccc1N
InChIInChI=1S/C19H27N5O2/c1-12(2)26-14-5-6-16(20)15(9-14)19(21)17-10-18(23(4)22-17)24-7-8-25-13(3)11-24/h5-6,9-10,12-13,21H,7-8,11,20H2,1-4H3/b21-19-/t13-/m0/s1
InChIKeyLCYZSVNMVWXSCR-OMEIHDDLSA-N
XLogP2.43
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 130372406
2-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-methylpyrazole-3-carboximidoyl]-4-(2-methoxyethoxy)aniline
CID 144694591
4-ethoxy-2-[1-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazole-3-carboximidoyl]aniline;molecular hydrogen
CID 144694418
4-propan-2-yloxy-2-(6-pyrrolidin-1-ylpyrimidine-4-carboximidoyl)aniline
CID 123143355
(3R)-1-[6-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 144694465
1-[6-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]piperidin-4-ol
CID 123896610
[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-(3-propan-2-yloxyphenyl)methanimine
CID 144697206
2-(6-chloropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline
CID 166765017
2-[6-(3-methylsulfonylazetidin-1-yl)pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123922387
2-[3-(4-ethylpiperazin-1-yl)-1-methylpyrazole-5-carboximidoyl]-4-propan-2-yloxyaniline;molecular hydrogen
CID 144694407
2-(6-morpholin-4-yl-1,4-dihydropyrimidine-4-carboximidoyl)-4-propan-2-yloxyaniline
CID 130372045
2-[2-(4-methoxypiperidin-1-yl)pyridine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123591282

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-[(2S)-2-methylmorpholin-4-yl]pyrazole-3-carboximidoyl]-4-propan-2-yloxyaniline?
The IUPAC name of 2-[1-methyl-5-[(2S)-2-methylmorpholin-4-yl]pyrazole-3-carboximidoyl]-4-propan-2-yloxyaniline (CID 144694333) is 2-[1-methyl-5-[(2S)-2-methylmorpholin-4-yl]pyrazole-3-carboximidoyl]-4-propan-2-yloxyaniline.
What is the SMILES notation for 2-[1-methyl-5-[(2S)-2-methylmorpholin-4-yl]pyrazole-3-carboximidoyl]-4-propan-2-yloxyaniline?
The canonical SMILES for 2-[1-methyl-5-[(2S)-2-methylmorpholin-4-yl]pyrazole-3-carboximidoyl]-4-propan-2-yloxyaniline is [H]/N=C(\c1cc(N2CCO[C@@H](C)C2)n(C)n1)c1cc(OC(C)C)ccc1N.
What is the InChIKey of 2-[1-methyl-5-[(2S)-2-methylmorpholin-4-yl]pyrazole-3-carboximidoyl]-4-propan-2-yloxyaniline?
The InChIKey is LCYZSVNMVWXSCR-OMEIHDDLSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-12(2)26-14-5-6-16(20)15(9-14)19(21)17-10-18(23(4)22-17)24-7-8-25-13(3)11-24/h5-6,9-10,12-13,21H,7-8,11,20H2,1-4H3/b21-19-/t13-/m0/s1.
What are the key properties of 2-[1-methyl-5-[(2S)-2-methylmorpholin-4-yl]pyrazole-3-carboximidoyl]-4-propan-2-yloxyaniline?
2-[1-methyl-5-[(2S)-2-methylmorpholin-4-yl]pyrazole-3-carboximidoyl]-4-propan-2-yloxyaniline has a molecular weight of 357.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-[(2S)-2-methylmorpholin-4-yl]pyrazole-3-carboximidoyl]-4-propan-2-yloxyaniline is sourced from PubChem (CID 144694333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).