2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide

C10H18N4O — CID 64991110

IUPAC2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide
SMILESCCC(C)n1ccc(CC(N)C(N)=O)n1
InChIInChI=1S/C10H18N4O/c1-3-7(2)14-5-4-8(13-14)6-9(11)10(12)15/h4-5,7,9H,3,6,11H2,1-2H3,(H2,12,15)
InChIKeyIOAMFQXJZLHQJH-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.21
Rot. Bonds5

About 2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide

2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide (PubChem CID 64991110) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide
PubChem CID64991110
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide
SMILESCCC(C)n1ccc(CC(N)C(N)=O)n1
InChIInChI=1S/C10H18N4O/c1-3-7(2)14-5-4-8(13-14)6-9(11)10(12)15/h4-5,7,9H,3,6,11H2,1-2H3,(H2,12,15)
InChIKeyIOAMFQXJZLHQJH-UHFFFAOYSA-N
XLogP0.21
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-3-one
CID 64784588
(2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid
CID 106702706
2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide
CID 64801986
2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 64772542
methyl 2-[(1-butan-2-ylpyrazol-3-yl)methylamino]propanoate
CID 64800871
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778474
1-(1-butan-2-ylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312016
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-chloropentan-2-one
CID 103344221
1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol
CID 64785469
1-(1-butan-2-ylpyrazol-3-yl)but-3-en-2-one
CID 103453597
5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine
CID 64778198
2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923492

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide (CID 64991110) is 2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide is CCC(C)n1ccc(CC(N)C(N)=O)n1.
What is the InChIKey of 2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is IOAMFQXJZLHQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-7(2)14-5-4-8(13-14)6-9(11)10(12)15/h4-5,7,9H,3,6,11H2,1-2H3,(H2,12,15).
What are the key properties of 2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide?
2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 210.28 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 64991110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).