(2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide

C10H17N3O2 — CID 94181328

IUPAC(2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide
SMILESCCO[C@@H](CC)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C10H17N3O2/c1-4-8(15-5-2)10(14)11-9-6-7-13(3)12-9/h6-8H,4-5H2,1-3H3,(H,11,12,14)/t8-/m0/s1
InChIKeyWGCWVVYPNCMAPC-QMMMGPOBSA-N
MW211.26 g/mol
LogP1.17
Rot. Bonds5

About (2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide

(2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide (PubChem CID 94181328) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide
PubChem CID94181328
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name(2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide
SMILESCCO[C@@H](CC)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C10H17N3O2/c1-4-8(15-5-2)10(14)11-9-6-7-13(3)12-9/h6-8H,4-5H2,1-3H3,(H,11,12,14)/t8-/m0/s1
InChIKeyWGCWVVYPNCMAPC-QMMMGPOBSA-N
XLogP1.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one
CID 116707579
(2S)-2-amino-N-(1-methylpyrazol-3-yl)pentanamide
CID 93313980
(2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide
CID 78971987
2-bromo-3-methyl-N-(1-methylpyrazol-3-yl)butanamide
CID 60810457
methyl N-(1-methylpyrazol-3-yl)carbamate
CID 12774707
2-cyano-N-(1-methylpyrazol-3-yl)pentanamide
CID 55208289
3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide
CID 177229835
2-ethoxy-1-(1-methylpyrazol-3-yl)propan-1-one
CID 103130398
ethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate
CID 60617047
ethyl 2-[(1-methylpyrazol-3-yl)amino]acetate
CID 79778560
2-methyl-2-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid
CID 79801340
4-(2-ethoxyphenoxy)-N-(1-methylpyrazol-3-yl)butanamide
CID 7638259

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide?
The IUPAC name of (2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide (CID 94181328) is (2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide?
The canonical SMILES for (2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide is CCO[C@@H](CC)C(=O)Nc1ccn(C)n1.
What is the InChIKey of (2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide?
The InChIKey is WGCWVVYPNCMAPC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-8(15-5-2)10(14)11-9-6-7-13(3)12-9/h6-8H,4-5H2,1-3H3,(H,11,12,14)/t8-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide?
(2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide has a molecular weight of 211.26 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide is sourced from PubChem (CID 94181328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).