2-amino-N-(4-methyl-1H-pyrazol-5-yl)butanamide

C8H14N4O — CID 104618928

IUPAC2-amino-N-(4-methyl-1H-pyrazol-5-yl)butanamide
SMILESCCC(N)C(=O)Nc1[nH]ncc1C
InChIInChI=1S/C8H14N4O/c1-3-6(9)8(13)11-7-5(2)4-10-12-7/h4,6H,3,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyZCHHRWJODKBUKN-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.39
Rot. Bonds3

About 2-amino-N-(4-methyl-1H-pyrazol-5-yl)butanamide

2-amino-N-(4-methyl-1H-pyrazol-5-yl)butanamide (PubChem CID 104618928) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-amino-N-(4-methyl-1H-pyrazol-5-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-(4-methyl-1H-pyrazol-5-yl)butanamide
PubChem CID104618928
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-amino-N-(4-methyl-1H-pyrazol-5-yl)butanamide
SMILESCCC(N)C(=O)Nc1[nH]ncc1C
InChIInChI=1S/C8H14N4O/c1-3-6(9)8(13)11-7-5(2)4-10-12-7/h4,6H,3,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyZCHHRWJODKBUKN-UHFFFAOYSA-N
XLogP0.39
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-methyl-1H-pyrazol-5-yl)pent-4-enamide
CID 104619019
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 104618999
ethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate
CID 115630334
2-amino-N-(2-methylpyrimidin-5-yl)butanamide
CID 83617934
2-(methylamino)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 104619088
2-(aminomethyl)-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
CID 104618932
3-amino-4,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
CID 104618937
ethyl 5-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1H-pyrazole-4-carboxylate
CID 110482748
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)pent-4-enamide
CID 104619246
(2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide
CID 79025044
(2S)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)butanamide
CID 79024477
1-methyl-3-(4-methyl-1H-pyrazol-5-yl)urea
CID 104620558

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methyl-1H-pyrazol-5-yl)butanamide?
The IUPAC name of 2-amino-N-(4-methyl-1H-pyrazol-5-yl)butanamide (CID 104618928) is 2-amino-N-(4-methyl-1H-pyrazol-5-yl)butanamide.
What is the SMILES notation for 2-amino-N-(4-methyl-1H-pyrazol-5-yl)butanamide?
The canonical SMILES for 2-amino-N-(4-methyl-1H-pyrazol-5-yl)butanamide is CCC(N)C(=O)Nc1[nH]ncc1C.
What is the InChIKey of 2-amino-N-(4-methyl-1H-pyrazol-5-yl)butanamide?
The InChIKey is ZCHHRWJODKBUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-6(9)8(13)11-7-5(2)4-10-12-7/h4,6H,3,9H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 2-amino-N-(4-methyl-1H-pyrazol-5-yl)butanamide?
2-amino-N-(4-methyl-1H-pyrazol-5-yl)butanamide has a molecular weight of 182.23 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methyl-1H-pyrazol-5-yl)butanamide is sourced from PubChem (CID 104618928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).