2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)butanamide

C9H16N4O — CID 104618696

IUPAC2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)butanamide
SMILESCCC(N)C(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C9H16N4O/c1-4-7(10)9(14)11-8-5(2)6(3)12-13-8/h7H,4,10H2,1-3H3,(H2,11,12,13,14)
InChIKeyCXDZWBQFYTXCOE-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.70
Rot. Bonds3

About 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)butanamide

2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)butanamide (PubChem CID 104618696) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)butanamide
PubChem CID104618696
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)butanamide
SMILESCCC(N)C(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C9H16N4O/c1-4-7(10)9(14)11-8-5(2)6(3)12-13-8/h7H,4,10H2,1-3H3,(H2,11,12,13,14)
InChIKeyCXDZWBQFYTXCOE-UHFFFAOYSA-N
XLogP0.70
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)hexanamide
CID 107146509
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methoxypropanamide
CID 104618673
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methoxypentanamide
CID 104618869
3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxypropanamide
CID 106113701
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104618733
2-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 115624602
3-[(2-amino-3-hydroxypropanoyl)amino]-5-methyl-1H-pyrazole-4-carboxylic acid
CID 110480754
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)hexanamide
CID 104618844
2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104617747
2-(carbamoylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide
CID 112689375
2-amino-N-(4-methyl-1H-pyrazol-5-yl)butanamide
CID 104618928
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 115976338

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)butanamide?
The IUPAC name of 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)butanamide (CID 104618696) is 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)butanamide.
What is the SMILES notation for 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)butanamide?
The canonical SMILES for 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)butanamide is CCC(N)C(=O)Nc1n[nH]c(C)c1C.
What is the InChIKey of 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)butanamide?
The InChIKey is CXDZWBQFYTXCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-4-7(10)9(14)11-8-5(2)6(3)12-13-8/h7H,4,10H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)butanamide?
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)butanamide has a molecular weight of 196.25 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)butanamide is sourced from PubChem (CID 104618696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).