4-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methylbutanamide

C10H18N4O — CID 63892280

IUPAC4-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1nc(C)c(N)c1C
InChIInChI=1S/C10H18N4O/c1-7-10(11)8(2)14(13-7)6-4-5-9(15)12-3/h4-6,11H2,1-3H3,(H,12,15)
InChIKeyNZNGCACGEZIOKG-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.61
Rot. Bonds4

About 4-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methylbutanamide

4-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methylbutanamide (PubChem CID 63892280) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methylbutanamide
PubChem CID63892280
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1nc(C)c(N)c1C
InChIInChI=1S/C10H18N4O/c1-7-10(11)8(2)14(13-7)6-4-5-9(15)12-3/h4-6,11H2,1-3H3,(H,12,15)
InChIKeyNZNGCACGEZIOKG-UHFFFAOYSA-N
XLogP0.61
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-methylbutanamide
CID 66400695
[2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61321425
3-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-methylamino]-N-methylpropanamide
CID 106914616
3,5-dimethyl-1-pent-4-enylpyrazol-4-amine
CID 165471853
[4-(methylamino)-4-oxobutyl] 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 66124815
5-(3,5-dimethyl-4-nitropyrazol-1-yl)pentanehydrazide
CID 63577216
3,5-dimethyl-1-propylpyrazol-4-amine;hydrochloride
CID 50944289
4-(4-amino-6-oxopyridazin-1-yl)-N-methylbutanamide
CID 103218228
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 55081752
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)acetamide
CID 43498545
4-(3,5-diethylpyrazol-1-yl)-N-methylbutanamide
CID 82699974
methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate
CID 43445168

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methylbutanamide?
The IUPAC name of 4-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methylbutanamide (CID 63892280) is 4-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methylbutanamide is CNC(=O)CCCn1nc(C)c(N)c1C.
What is the InChIKey of 4-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methylbutanamide?
The InChIKey is NZNGCACGEZIOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7-10(11)8(2)14(13-7)6-4-5-9(15)12-3/h4-6,11H2,1-3H3,(H,12,15).
What are the key properties of 4-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methylbutanamide?
4-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methylbutanamide has a molecular weight of 210.28 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3,5-dimethylpyrazol-1-yl)-N-methylbutanamide is sourced from PubChem (CID 63892280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).