3-amino-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide

C10H18N4O — CID 106212730

IUPAC3-amino-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
SMILESCC(NC(=O)CC(C)(C)N)c1cn[nH]c1
InChIInChI=1S/C10H18N4O/c1-7(8-5-12-13-6-8)14-9(15)4-10(2,3)11/h5-7H,4,11H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyGFSXPAPOTAKGCN-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.71
Rot. Bonds4

About 3-amino-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide

3-amino-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide (PubChem CID 106212730) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-amino-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
PubChem CID106212730
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-amino-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
SMILESCC(NC(=O)CC(C)(C)N)c1cn[nH]c1
InChIInChI=1S/C10H18N4O/c1-7(8-5-12-13-6-8)14-9(15)4-10(2,3)11/h5-7H,4,11H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyGFSXPAPOTAKGCN-UHFFFAOYSA-N
XLogP0.71
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-phenyl-N,N'-bis[1-(1H-pyrazol-4-yl)ethyl]pentanediamide
CID 166185847
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
5-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212776
3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359098
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methylbutanamide
CID 81359028
3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856287
(2S)-2-amino-3-methyl-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]butanamide
CID 106212905
3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212688
N-[1-(1H-pyrazol-4-yl)ethyl]octanamide
CID 103856713
N-[1-(1H-pyrazol-4-yl)ethyl]nonanamide
CID 113339621
2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106212825
N-[1-(1H-pyrazol-4-yl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 103855789

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide?
The IUPAC name of 3-amino-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide (CID 106212730) is 3-amino-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide?
The canonical SMILES for 3-amino-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide is CC(NC(=O)CC(C)(C)N)c1cn[nH]c1.
What is the InChIKey of 3-amino-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide?
The InChIKey is GFSXPAPOTAKGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(8-5-12-13-6-8)14-9(15)4-10(2,3)11/h5-7H,4,11H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 3-amino-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide?
3-amino-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide has a molecular weight of 210.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 106212730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).