N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide

C11H20N4O — CID 115607331

IUPACN,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide
SMILESCC(C)C(NCc1ccn[nH]1)C(=O)N(C)C
InChIInChI=1S/C11H20N4O/c1-8(2)10(11(16)15(3)4)12-7-9-5-6-13-14-9/h5-6,8,10,12H,7H2,1-4H3,(H,13,14)
InChIKeyZJZIYTHDGCQPAT-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.61
Rot. Bonds5

About N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide

N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide (PubChem CID 115607331) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide.

Molecular Properties

Compound NameN,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide
PubChem CID115607331
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide
SMILESCC(C)C(NCc1ccn[nH]1)C(=O)N(C)C
InChIInChI=1S/C11H20N4O/c1-8(2)10(11(16)15(3)4)12-7-9-5-6-13-14-9/h5-6,8,10,12H,7H2,1-4H3,(H,13,14)
InChIKeyZJZIYTHDGCQPAT-UHFFFAOYSA-N
XLogP0.61
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-N-(1H-pyrazol-5-ylmethyl)butane-1,2-diamine
CID 106345214
2-bromo-3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61285500
N-(1H-pyrazol-5-ylmethyl)but-3-en-2-amine
CID 115691267
N-propan-2-yl-2-(1H-pyrazol-5-ylmethylamino)acetamide
CID 43662596
(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 94032780
1-[propan-2-yl(1H-pyrazol-5-ylmethyl)amino]propan-2-ol
CID 115882823
1-(4-bromophenyl)-2-(1H-pyrazol-5-ylmethylamino)propan-1-ol
CID 111421808
3-chloro-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 62728534
1,1-diethyl-3-(1H-pyrazol-5-ylmethyl)urea
CID 112729742
3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide
CID 114875503
4-[2-(1H-pyrazol-5-ylmethylamino)propyl]phenol
CID 78943353
2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 60975273

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide?
The IUPAC name of N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide (CID 115607331) is N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide.
What is the SMILES notation for N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide?
The canonical SMILES for N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide is CC(C)C(NCc1ccn[nH]1)C(=O)N(C)C.
What is the InChIKey of N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide?
The InChIKey is ZJZIYTHDGCQPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)10(11(16)15(3)4)12-7-9-5-6-13-14-9/h5-6,8,10,12H,7H2,1-4H3,(H,13,14).
What are the key properties of N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide?
N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide has a molecular weight of 224.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-2-(1H-pyrazol-5-ylmethylamino)butanamide is sourced from PubChem (CID 115607331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).