3-methyl-3-(2-pyrazol-1-ylethylamino)butanamide

C10H18N4O — CID 104580184

IUPAC3-methyl-3-(2-pyrazol-1-ylethylamino)butanamide
SMILESCC(C)(CC(N)=O)NCCn1cccn1
InChIInChI=1S/C10H18N4O/c1-10(2,8-9(11)15)12-5-7-14-6-3-4-13-14/h3-4,6,12H,5,7-8H2,1-2H3,(H2,11,15)
InChIKeyKYYWQSYOGIHTRQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.13
Rot. Bonds6

About 3-methyl-3-(2-pyrazol-1-ylethylamino)butanamide

3-methyl-3-(2-pyrazol-1-ylethylamino)butanamide (PubChem CID 104580184) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-methyl-3-(2-pyrazol-1-ylethylamino)butanamide.

Molecular Properties

Compound Name3-methyl-3-(2-pyrazol-1-ylethylamino)butanamide
PubChem CID104580184
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-methyl-3-(2-pyrazol-1-ylethylamino)butanamide
SMILESCC(C)(CC(N)=O)NCCn1cccn1
InChIInChI=1S/C10H18N4O/c1-10(2,8-9(11)15)12-5-7-14-6-3-4-13-14/h3-4,6,12H,5,7-8H2,1-2H3,(H2,11,15)
InChIKeyKYYWQSYOGIHTRQ-UHFFFAOYSA-N
XLogP0.13
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-pyrazol-1-ylethylamino)propanamide
CID 61463114
3-(2-pyrazol-1-ylethylamino)butanamide
CID 115676497
3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide
CID 54951704
2-amino-2-cyclopropyl-N-(2-pyrazol-1-ylethyl)propanamide
CID 61461071
N-tert-butyl-5-pyrazol-1-ylpentan-1-amine
CID 62447161
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
N-(4-hydroxy-2-methylbutan-2-yl)-3-pyrazol-1-ylpropanamide
CID 115870093
4-pyrazol-1-ylbutan-1-ol
CID 43509832
3-(chloromethyl)-N-(2-pyrazol-1-ylethyl)pentan-3-amine
CID 65030085
2-(tert-butylamino)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 112685077
tert-butyl N-[2-[[N'-methyl-N-(2-pyrazol-1-ylethyl)carbamimidoyl]amino]ethyl]carbamate
CID 111883489
2-(4-aminophenyl)-2-methyl-N-(2-pyrazol-1-ylethyl)propanamide
CID 80556949

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-pyrazol-1-ylethylamino)butanamide?
The IUPAC name of 3-methyl-3-(2-pyrazol-1-ylethylamino)butanamide (CID 104580184) is 3-methyl-3-(2-pyrazol-1-ylethylamino)butanamide.
What is the SMILES notation for 3-methyl-3-(2-pyrazol-1-ylethylamino)butanamide?
The canonical SMILES for 3-methyl-3-(2-pyrazol-1-ylethylamino)butanamide is CC(C)(CC(N)=O)NCCn1cccn1.
What is the InChIKey of 3-methyl-3-(2-pyrazol-1-ylethylamino)butanamide?
The InChIKey is KYYWQSYOGIHTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-10(2,8-9(11)15)12-5-7-14-6-3-4-13-14/h3-4,6,12H,5,7-8H2,1-2H3,(H2,11,15).
What are the key properties of 3-methyl-3-(2-pyrazol-1-ylethylamino)butanamide?
3-methyl-3-(2-pyrazol-1-ylethylamino)butanamide has a molecular weight of 210.28 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-pyrazol-1-ylethylamino)butanamide is sourced from PubChem (CID 104580184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).