[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone

C17H24N6O2 — CID 96511784

IUPAC[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
SMILESCC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)CCO2)n1
InChIInChI=1S/C17H24N6O2/c1-10(2)15-19-16(21-20-15)14-9-23(4-5-25-14)17(24)13-6-12(13)11-7-18-22(3)8-11/h7-8,10,12-14H,4-6,9H2,1-3H3,(H,19,20,21)/t12-,13-,14+/m1/s1
InChIKeyJKQFVJWWUFTYMI-MCIONIFRSA-N
MW344.42 g/mol
LogP1.37
Rot. Bonds4

About [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone

[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone (PubChem CID 96511784) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
PubChem CID96511784
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
SMILESCC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)CCO2)n1
InChIInChI=1S/C17H24N6O2/c1-10(2)15-19-16(21-20-15)14-9-23(4-5-25-14)17(24)13-6-12(13)11-7-18-22(3)8-11/h7-8,10,12-14H,4-6,9H2,1-3H3,(H,19,20,21)/t12-,13-,14+/m1/s1
InChIKeyJKQFVJWWUFTYMI-MCIONIFRSA-N
XLogP1.37
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129461340
(2-methyl-1H-imidazol-5-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96512691
(5-ethyl-1,3-oxazol-4-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511796
[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511664
(3R)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrrol-1-ylbutan-1-one
CID 96511727
(3S)-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-pyrrol-1-ylbutan-1-one
CID 96511729
(2,5-dimethylthiophen-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 71928746
2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
CID 96511705
(2R)-2-imidazol-1-yl-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one
CID 96511760
(2S)-2-imidazol-1-yl-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one
CID 96511763
3-imidazol-1-yl-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propan-1-one
CID 96511815
2-(4-fluorophenoxy)-1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
CID 71928752

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone (CID 96511784) is [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone is CC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)CCO2)n1.
What is the InChIKey of [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is JKQFVJWWUFTYMI-MCIONIFRSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-10(2)15-19-16(21-20-15)14-9-23(4-5-25-14)17(24)13-6-12(13)11-7-18-22(3)8-11/h7-8,10,12-14H,4-6,9H2,1-3H3,(H,19,20,21)/t12-,13-,14+/m1/s1.
What are the key properties of [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 344.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 96511784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).