2-methoxy-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]acetamide

C13H23N3O2 — CID 95968893

IUPAC2-methoxy-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]acetamide
SMILESCOCC(=O)Nc1cc(C[C@@H](C)C(C)(C)C)[nH]n1
InChIInChI=1S/C13H23N3O2/c1-9(13(2,3)4)6-10-7-11(16-15-10)14-12(17)8-18-5/h7,9H,6,8H2,1-5H3,(H2,14,15,16,17)/t9-/m1/s1
InChIKeyNXTQKJSMDBTUFA-SECBINFHSA-N
MW253.35 g/mol
LogP2.22
Rot. Bonds5

About 2-methoxy-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]acetamide

2-methoxy-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]acetamide (PubChem CID 95968893) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-methoxy-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]acetamide
PubChem CID95968893
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-methoxy-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]acetamide
SMILESCOCC(=O)Nc1cc(C[C@@H](C)C(C)(C)C)[nH]n1
InChIInChI=1S/C13H23N3O2/c1-9(13(2,3)4)6-10-7-11(16-15-10)14-12(17)8-18-5/h7,9H,6,8H2,1-5H3,(H2,14,15,16,17)/t9-/m1/s1
InChIKeyNXTQKJSMDBTUFA-SECBINFHSA-N
XLogP2.22
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-3-methoxypropanamide
CID 72126640
N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 2819087
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-methoxyacetamide
CID 75501541
3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 47404991
2-(2-methoxyethoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 72015903
N-(5-pentan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 72116307
N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide
CID 75514181
1-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide
CID 132356628
(2S,3R)-N-(5-cyclopentyl-1H-pyrazol-3-yl)-3-methyloxolane-2-carboxamide
CID 137991803
N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86844832
N-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-3-sulfanylpropanamide
CID 177681579
Propanamide, N-[5-(1,1-dimethylethyl)-1H-pyrazol-3-yl]-2,2-dimethyl-
CID 10987879

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-methoxy-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]acetamide (CID 95968893) is 2-methoxy-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]acetamide is COCC(=O)Nc1cc(C[C@@H](C)C(C)(C)C)[nH]n1.
What is the InChIKey of 2-methoxy-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]acetamide?
The InChIKey is NXTQKJSMDBTUFA-SECBINFHSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(13(2,3)4)6-10-7-11(16-15-10)14-12(17)8-18-5/h7,9H,6,8H2,1-5H3,(H2,14,15,16,17)/t9-/m1/s1.
What are the key properties of 2-methoxy-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]acetamide?
2-methoxy-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]acetamide has a molecular weight of 253.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-[(2R)-2,3,3-trimethylbutyl]-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 95968893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).