(2S)-N-tert-butyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]butanamide

C13H24N4O — CID 124751548

IUPAC(2S)-N-tert-butyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]butanamide
SMILESCC[C@@H](C(=O)NC(C)(C)C)N(C)Cc1ccn[nH]1
InChIInChI=1S/C13H24N4O/c1-6-11(12(18)15-13(2,3)4)17(5)9-10-7-8-14-16-10/h7-8,11H,6,9H2,1-5H3,(H,14,16)(H,15,18)/t11-/m0/s1
InChIKeyGYCIRYWTACSWLY-NSHDSACASA-N
MW252.36 g/mol
LogP1.53
Rot. Bonds5

About (2S)-N-tert-butyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]butanamide

(2S)-N-tert-butyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]butanamide (PubChem CID 124751548) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]butanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]butanamide
PubChem CID124751548
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name(2S)-N-tert-butyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]butanamide
SMILESCC[C@@H](C(=O)NC(C)(C)C)N(C)Cc1ccn[nH]1
InChIInChI=1S/C13H24N4O/c1-6-11(12(18)15-13(2,3)4)17(5)9-10-7-8-14-16-10/h7-8,11H,6,9H2,1-5H3,(H,14,16)(H,15,18)/t11-/m0/s1
InChIKeyGYCIRYWTACSWLY-NSHDSACASA-N
XLogP1.53
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]butanamide?
The IUPAC name of (2S)-N-tert-butyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]butanamide (CID 124751548) is (2S)-N-tert-butyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]butanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]butanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]butanamide is CC[C@@H](C(=O)NC(C)(C)C)N(C)Cc1ccn[nH]1.
What is the InChIKey of (2S)-N-tert-butyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]butanamide?
The InChIKey is GYCIRYWTACSWLY-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-11(12(18)15-13(2,3)4)17(5)9-10-7-8-14-16-10/h7-8,11H,6,9H2,1-5H3,(H,14,16)(H,15,18)/t11-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]butanamide?
(2S)-N-tert-butyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]butanamide has a molecular weight of 252.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]butanamide is sourced from PubChem (CID 124751548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).