3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid

C10H15N3O3 — CID 43583226

IUPAC3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid
SMILESCc1n[nH]c(C)c1C(=O)NC(C)CC(=O)O
InChIInChI=1S/C10H15N3O3/c1-5(4-8(14)15)11-10(16)9-6(2)12-13-7(9)3/h5H,4H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyFFFOEZDXYWNMNT-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.62
Rot. Bonds4

About 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid

3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid (PubChem CID 43583226) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid
PubChem CID43583226
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid
SMILESCc1n[nH]c(C)c1C(=O)NC(C)CC(=O)O
InChIInChI=1S/C10H15N3O3/c1-5(4-8(14)15)11-10(16)9-6(2)12-13-7(9)3/h5H,4H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyFFFOEZDXYWNMNT-UHFFFAOYSA-N
XLogP0.62
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid
CID 65286168
(2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid
CID 114004747
4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic acid
CID 103153138
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62675345
3,5-dimethyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
CID 54867695
3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 62691865
3,5-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrazole-4-carboxamide
CID 112690090
N-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 55159643
(2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820399
3,5-dimethyl-N-octan-4-yl-1H-pyrazole-4-carboxamide
CID 113249951
3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43582292
3,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 113357186

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid (CID 43583226) is 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid is Cc1n[nH]c(C)c1C(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid?
The InChIKey is FFFOEZDXYWNMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-5(4-8(14)15)11-10(16)9-6(2)12-13-7(9)3/h5H,4H2,1-3H3,(H,11,16)(H,12,13)(H,14,15).
What are the key properties of 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid?
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43583226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).