2-[ethyl-[(2S)-3-methylbutan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C15H28N4O — CID 95113376

IUPAC2-[ethyl-[(2S)-3-methylbutan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCN(CC(=O)Nc1c(C)nn(C)c1C)[C@@H](C)C(C)C
InChIInChI=1S/C15H28N4O/c1-8-19(12(5)10(2)3)9-14(20)16-15-11(4)17-18(7)13(15)6/h10,12H,8-9H2,1-7H3,(H,16,20)/t12-/m0/s1
InChIKeyDCYQOGZAHXSMRV-LBPRGKRZSA-N
MW280.42 g/mol
LogP2.34
Rot. Bonds6

About 2-[ethyl-[(2S)-3-methylbutan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[ethyl-[(2S)-3-methylbutan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 95113376) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[ethyl-[(2S)-3-methylbutan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[(2S)-3-methylbutan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID95113376
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-[ethyl-[(2S)-3-methylbutan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCN(CC(=O)Nc1c(C)nn(C)c1C)[C@@H](C)C(C)C
InChIInChI=1S/C15H28N4O/c1-8-19(12(5)10(2)3)9-14(20)16-15-11(4)17-18(7)13(15)6/h10,12H,8-9H2,1-7H3,(H,16,20)/t12-/m0/s1
InChIKeyDCYQOGZAHXSMRV-LBPRGKRZSA-N
XLogP2.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2S)-3-methylbutan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[ethyl-[(2S)-3-methylbutan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 95113376) is 2-[ethyl-[(2S)-3-methylbutan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[ethyl-[(2S)-3-methylbutan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[ethyl-[(2S)-3-methylbutan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is CCN(CC(=O)Nc1c(C)nn(C)c1C)[C@@H](C)C(C)C.
What is the InChIKey of 2-[ethyl-[(2S)-3-methylbutan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is DCYQOGZAHXSMRV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H28N4O/c1-8-19(12(5)10(2)3)9-14(20)16-15-11(4)17-18(7)13(15)6/h10,12H,8-9H2,1-7H3,(H,16,20)/t12-/m0/s1.
What are the key properties of 2-[ethyl-[(2S)-3-methylbutan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[ethyl-[(2S)-3-methylbutan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 280.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2S)-3-methylbutan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 95113376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).