3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide

C10H17N3O3 — CID 171898832

IUPAC3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide
SMILESCCCn1cc(C(O)C(O)CC(N)=O)cn1
InChIInChI=1S/C10H17N3O3/c1-2-3-13-6-7(5-12-13)10(16)8(14)4-9(11)15/h5-6,8,10,14,16H,2-4H2,1H3,(H2,11,15)
InChIKeyZOJKGABFJSKELK-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.44
Rot. Bonds6

About 3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide

3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide (PubChem CID 171898832) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide.

Molecular Properties

Compound Name3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide
PubChem CID171898832
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide
SMILESCCCn1cc(C(O)C(O)CC(N)=O)cn1
InChIInChI=1S/C10H17N3O3/c1-2-3-13-6-7(5-12-13)10(16)8(14)4-9(11)15/h5-6,8,10,14,16H,2-4H2,1H3,(H2,11,15)
InChIKeyZOJKGABFJSKELK-UHFFFAOYSA-N
XLogP-0.44
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methylamino)-3-(1-propylpyrazol-4-yl)propanamide
CID 103573447
2-amino-2-(1-propylpyrazol-4-yl)acetamide
CID 103572056
4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572854
2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086
2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 103572279
tert-butyl N-[2,3-dihydroxy-3-(1-propylpyrazol-4-yl)propyl]carbamate
CID 170831773
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 114981633
ethyl 3,4-dihydroxy-4-(1-methylpyrazol-4-yl)butanoate
CID 171896783
methyl 4-amino-3-(1-propylpyrazol-4-yl)butanoate
CID 103573475
methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate
CID 103572127
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 116502650

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide?
The IUPAC name of 3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide (CID 171898832) is 3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide.
What is the SMILES notation for 3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide?
The canonical SMILES for 3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide is CCCn1cc(C(O)C(O)CC(N)=O)cn1.
What is the InChIKey of 3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide?
The InChIKey is ZOJKGABFJSKELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-2-3-13-6-7(5-12-13)10(16)8(14)4-9(11)15/h5-6,8,10,14,16H,2-4H2,1H3,(H2,11,15).
What are the key properties of 3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide?
3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide has a molecular weight of 227.26 g/mol, XLogP of -0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide is sourced from PubChem (CID 171898832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).