(2S)-N-(1-tert-butylpyrazol-3-yl)-2-cyclopentyloxybutanamide

C16H27N3O2 — CID 95625272

IUPAC(2S)-N-(1-tert-butylpyrazol-3-yl)-2-cyclopentyloxybutanamide
SMILESCC[C@H](OC1CCCC1)C(=O)Nc1ccn(C(C)(C)C)n1
InChIInChI=1S/C16H27N3O2/c1-5-13(21-12-8-6-7-9-12)15(20)17-14-10-11-19(18-14)16(2,3)4/h10-13H,5-9H2,1-4H3,(H,17,18,20)/t13-/m0/s1
InChIKeyXJXLAKXQLZVIOJ-ZDUSSCGKSA-N
MW293.41 g/mol
LogP3.31
Rot. Bonds5

About (2S)-N-(1-tert-butylpyrazol-3-yl)-2-cyclopentyloxybutanamide

(2S)-N-(1-tert-butylpyrazol-3-yl)-2-cyclopentyloxybutanamide (PubChem CID 95625272) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2S)-N-(1-tert-butylpyrazol-3-yl)-2-cyclopentyloxybutanamide.

Molecular Properties

Compound Name(2S)-N-(1-tert-butylpyrazol-3-yl)-2-cyclopentyloxybutanamide
PubChem CID95625272
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(2S)-N-(1-tert-butylpyrazol-3-yl)-2-cyclopentyloxybutanamide
SMILESCC[C@H](OC1CCCC1)C(=O)Nc1ccn(C(C)(C)C)n1
InChIInChI=1S/C16H27N3O2/c1-5-13(21-12-8-6-7-9-12)15(20)17-14-10-11-19(18-14)16(2,3)4/h10-13H,5-9H2,1-4H3,(H,17,18,20)/t13-/m0/s1
InChIKeyXJXLAKXQLZVIOJ-ZDUSSCGKSA-N
XLogP3.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-tert-butylpyrazol-3-yl)-2-cyclopentyloxybutanamide?
The IUPAC name of (2S)-N-(1-tert-butylpyrazol-3-yl)-2-cyclopentyloxybutanamide (CID 95625272) is (2S)-N-(1-tert-butylpyrazol-3-yl)-2-cyclopentyloxybutanamide.
What is the SMILES notation for (2S)-N-(1-tert-butylpyrazol-3-yl)-2-cyclopentyloxybutanamide?
The canonical SMILES for (2S)-N-(1-tert-butylpyrazol-3-yl)-2-cyclopentyloxybutanamide is CC[C@H](OC1CCCC1)C(=O)Nc1ccn(C(C)(C)C)n1.
What is the InChIKey of (2S)-N-(1-tert-butylpyrazol-3-yl)-2-cyclopentyloxybutanamide?
The InChIKey is XJXLAKXQLZVIOJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-13(21-12-8-6-7-9-12)15(20)17-14-10-11-19(18-14)16(2,3)4/h10-13H,5-9H2,1-4H3,(H,17,18,20)/t13-/m0/s1.
What are the key properties of (2S)-N-(1-tert-butylpyrazol-3-yl)-2-cyclopentyloxybutanamide?
(2S)-N-(1-tert-butylpyrazol-3-yl)-2-cyclopentyloxybutanamide has a molecular weight of 293.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-tert-butylpyrazol-3-yl)-2-cyclopentyloxybutanamide is sourced from PubChem (CID 95625272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).