2-amino-3-methyl-N-(1H-pyrazol-4-yl)butanamide

C8H14N4O — CID 43540260

IUPAC2-amino-3-methyl-N-(1H-pyrazol-4-yl)butanamide
SMILESCC(C)C(N)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C8H14N4O/c1-5(2)7(9)8(13)12-6-3-10-11-4-6/h3-5,7H,9H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyAYCRJGXSTCDYEC-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.33
Rot. Bonds3

About 2-amino-3-methyl-N-(1H-pyrazol-4-yl)butanamide

2-amino-3-methyl-N-(1H-pyrazol-4-yl)butanamide (PubChem CID 43540260) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(1H-pyrazol-4-yl)butanamide
PubChem CID43540260
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-amino-3-methyl-N-(1H-pyrazol-4-yl)butanamide
SMILESCC(C)C(N)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C8H14N4O/c1-5(2)7(9)8(13)12-6-3-10-11-4-6/h3-5,7H,9H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyAYCRJGXSTCDYEC-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1H-pyrazol-4-yl)propanamide
CID 43540259
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2-cyclopropyl-N-(1H-pyrazol-4-yl)propanamide
CID 79506371
(2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 79012897
2-amino-3-methyl-N-(2-methylpyrimidin-5-yl)butanamide
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1H-pyrazol-4-ylcarbamic acid
CID 66846919
1H-pyrazol-4-ylcarbamic acid
CID 66846920
(2R)-2-amino-3-methyl-N-(1,2-oxazol-4-yl)butanamide
CID 79013276
3-amino-2,2,3-trimethyl-N-(1H-pyrazol-4-yl)butanamide
CID 65264992
2-hydroxy-N-(1H-pyrazol-4-yl)acetamide
CID 83815139
2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide
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2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of 2-amino-3-methyl-N-(1H-pyrazol-4-yl)butanamide (CID 43540260) is 2-amino-3-methyl-N-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for 2-amino-3-methyl-N-(1H-pyrazol-4-yl)butanamide is CC(C)C(N)C(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-amino-3-methyl-N-(1H-pyrazol-4-yl)butanamide?
The InChIKey is AYCRJGXSTCDYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5(2)7(9)8(13)12-6-3-10-11-4-6/h3-5,7H,9H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-amino-3-methyl-N-(1H-pyrazol-4-yl)butanamide?
2-amino-3-methyl-N-(1H-pyrazol-4-yl)butanamide has a molecular weight of 182.23 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 43540260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).