3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid

C10H17N3O2 — CID 79595015

IUPAC3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
SMILESCc1c(C(CC(=O)O)N(C)C)cnn1C
InChIInChI=1S/C10H17N3O2/c1-7-8(6-11-13(7)4)9(12(2)3)5-10(14)15/h6,9H,5H2,1-4H3,(H,14,15)
InChIKeyNSRUMPOWUJRUAQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.81
Rot. Bonds4

About 3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid

3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid (PubChem CID 79595015) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
PubChem CID79595015
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
SMILESCc1c(C(CC(=O)O)N(C)C)cnn1C
InChIInChI=1S/C10H17N3O2/c1-7-8(6-11-13(7)4)9(12(2)3)5-10(14)15/h6,9H,5H2,1-4H3,(H,14,15)
InChIKeyNSRUMPOWUJRUAQ-UHFFFAOYSA-N
XLogP0.81
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79583983
4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid
CID 79595352
3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid
CID 155858515
(3S)-3-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 79584929
ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate
CID 79584174
ethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)propanoate
CID 79595467
4-(1,5-dimethylpyrazol-4-yl)-3-methyl-4-oxobutanoic acid
CID 79584024
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 79578846
3-(dimethylamino)-3-(6-methyl-3-pyridinyl)propanoic acid
CID 83834120
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509
1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
CID 94154225
methyl 3-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate
CID 79595786

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid (CID 79595015) is 3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid is Cc1c(C(CC(=O)O)N(C)C)cnn1C.
What is the InChIKey of 3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid?
The InChIKey is NSRUMPOWUJRUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-8(6-11-13(7)4)9(12(2)3)5-10(14)15/h6,9H,5H2,1-4H3,(H,14,15).
What are the key properties of 3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid?
3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid has a molecular weight of 211.26 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 79595015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).