(2R)-2-amino-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,4-dimethylpentanamide

C15H28N4O — CID 56866474

IUPAC(2R)-2-amino-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,4-dimethylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C15H28N4O/c1-10(2)7-12(16)14(20)19(6)9-11-8-13(18-17-11)15(3,4)5/h8,10,12H,7,9,16H2,1-6H3,(H,17,18)/t12-/m1/s1
InChIKeyRSRXELUIJCKOLI-GFCCVEGCSA-N
MW280.42 g/mol
LogP2.04
Rot. Bonds5

About (2R)-2-amino-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,4-dimethylpentanamide

(2R)-2-amino-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,4-dimethylpentanamide (PubChem CID 56866474) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is (2R)-2-amino-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,4-dimethylpentanamide
PubChem CID56866474
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name(2R)-2-amino-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,4-dimethylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C15H28N4O/c1-10(2)7-12(16)14(20)19(6)9-11-8-13(18-17-11)15(3,4)5/h8,10,12H,7,9,16H2,1-6H3,(H,17,18)/t12-/m1/s1
InChIKeyRSRXELUIJCKOLI-GFCCVEGCSA-N
XLogP2.04
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,4-dimethylpentanamide?
The IUPAC name of (2R)-2-amino-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,4-dimethylpentanamide (CID 56866474) is (2R)-2-amino-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,4-dimethylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,4-dimethylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,4-dimethylpentanamide is CC(C)C[C@@H](N)C(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1.
What is the InChIKey of (2R)-2-amino-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,4-dimethylpentanamide?
The InChIKey is RSRXELUIJCKOLI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H28N4O/c1-10(2)7-12(16)14(20)19(6)9-11-8-13(18-17-11)15(3,4)5/h8,10,12H,7,9,16H2,1-6H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,4-dimethylpentanamide?
(2R)-2-amino-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,4-dimethylpentanamide has a molecular weight of 280.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,4-dimethylpentanamide is sourced from PubChem (CID 56866474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).