(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propanamide

C17H26N6O2 — CID 100841830

IUPAC(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propanamide
SMILESCC(C)n1nccc1NC(=O)[C@@H](C)N1CCO[C@@H](Cn2cccn2)C1
InChIInChI=1S/C17H26N6O2/c1-13(2)23-16(5-7-19-23)20-17(24)14(3)21-9-10-25-15(11-21)12-22-8-4-6-18-22/h4-8,13-15H,9-12H2,1-3H3,(H,20,24)/t14-,15-/m1/s1
InChIKeyAMDIUYPDTVKLJH-HUUCEWRRSA-N
MW346.44 g/mol
LogP1.39
Rot. Bonds6

About (2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propanamide

(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propanamide (PubChem CID 100841830) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is (2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propanamide
PubChem CID100841830
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propanamide
SMILESCC(C)n1nccc1NC(=O)[C@@H](C)N1CCO[C@@H](Cn2cccn2)C1
InChIInChI=1S/C17H26N6O2/c1-13(2)23-16(5-7-19-23)20-17(24)14(3)21-9-10-25-15(11-21)12-22-8-4-6-18-22/h4-8,13-15H,9-12H2,1-3H3,(H,20,24)/t14-,15-/m1/s1
InChIKeyAMDIUYPDTVKLJH-HUUCEWRRSA-N
XLogP1.39
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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(2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]propanamide
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CID 42913354
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(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propanamide?
The IUPAC name of (2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propanamide (CID 100841830) is (2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propanamide.
What is the SMILES notation for (2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propanamide?
The canonical SMILES for (2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propanamide is CC(C)n1nccc1NC(=O)[C@@H](C)N1CCO[C@@H](Cn2cccn2)C1.
What is the InChIKey of (2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propanamide?
The InChIKey is AMDIUYPDTVKLJH-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-13(2)23-16(5-7-19-23)20-17(24)14(3)21-9-10-25-15(11-21)12-22-8-4-6-18-22/h4-8,13-15H,9-12H2,1-3H3,(H,20,24)/t14-,15-/m1/s1.
What are the key properties of (2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propanamide?
(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propanamide has a molecular weight of 346.44 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propanamide is sourced from PubChem (CID 100841830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).