3-[(2S)-4-methylpentan-2-yl]oxy-N-(2,4,5-trimethylpyrazol-3-yl)propanamide

C15H27N3O2 — CID 97051211

IUPAC3-[(2S)-4-methylpentan-2-yl]oxy-N-(2,4,5-trimethylpyrazol-3-yl)propanamide
SMILESCc1nn(C)c(NC(=O)CCO[C@@H](C)CC(C)C)c1C
InChIInChI=1S/C15H27N3O2/c1-10(2)9-11(3)20-8-7-14(19)16-15-12(4)13(5)17-18(15)6/h10-11H,7-9H2,1-6H3,(H,16,19)/t11-/m0/s1
InChIKeyBMXMPDUGDCBEEZ-NSHDSACASA-N
MW281.40 g/mol
LogP2.82
Rot. Bonds7

About 3-[(2S)-4-methylpentan-2-yl]oxy-N-(2,4,5-trimethylpyrazol-3-yl)propanamide

3-[(2S)-4-methylpentan-2-yl]oxy-N-(2,4,5-trimethylpyrazol-3-yl)propanamide (PubChem CID 97051211) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[(2S)-4-methylpentan-2-yl]oxy-N-(2,4,5-trimethylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[(2S)-4-methylpentan-2-yl]oxy-N-(2,4,5-trimethylpyrazol-3-yl)propanamide
PubChem CID97051211
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-[(2S)-4-methylpentan-2-yl]oxy-N-(2,4,5-trimethylpyrazol-3-yl)propanamide
SMILESCc1nn(C)c(NC(=O)CCO[C@@H](C)CC(C)C)c1C
InChIInChI=1S/C15H27N3O2/c1-10(2)9-11(3)20-8-7-14(19)16-15-12(4)13(5)17-18(15)6/h10-11H,7-9H2,1-6H3,(H,16,19)/t11-/m0/s1
InChIKeyBMXMPDUGDCBEEZ-NSHDSACASA-N
XLogP2.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-4-methylpentan-2-yl]oxy-N-(2,4,5-trimethylpyrazol-3-yl)propanamide?
The IUPAC name of 3-[(2S)-4-methylpentan-2-yl]oxy-N-(2,4,5-trimethylpyrazol-3-yl)propanamide (CID 97051211) is 3-[(2S)-4-methylpentan-2-yl]oxy-N-(2,4,5-trimethylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-[(2S)-4-methylpentan-2-yl]oxy-N-(2,4,5-trimethylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-[(2S)-4-methylpentan-2-yl]oxy-N-(2,4,5-trimethylpyrazol-3-yl)propanamide is Cc1nn(C)c(NC(=O)CCO[C@@H](C)CC(C)C)c1C.
What is the InChIKey of 3-[(2S)-4-methylpentan-2-yl]oxy-N-(2,4,5-trimethylpyrazol-3-yl)propanamide?
The InChIKey is BMXMPDUGDCBEEZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H27N3O2/c1-10(2)9-11(3)20-8-7-14(19)16-15-12(4)13(5)17-18(15)6/h10-11H,7-9H2,1-6H3,(H,16,19)/t11-/m0/s1.
What are the key properties of 3-[(2S)-4-methylpentan-2-yl]oxy-N-(2,4,5-trimethylpyrazol-3-yl)propanamide?
3-[(2S)-4-methylpentan-2-yl]oxy-N-(2,4,5-trimethylpyrazol-3-yl)propanamide has a molecular weight of 281.40 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-4-methylpentan-2-yl]oxy-N-(2,4,5-trimethylpyrazol-3-yl)propanamide is sourced from PubChem (CID 97051211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).