3-[5-(4,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid

C15H23N3O2 — CID 76981083

IUPAC3-[5-(4,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid
SMILESCc1nn(C)c(N2CCC(C)(C)CC2)c1C=CC(=O)O
InChIInChI=1S/C15H23N3O2/c1-11-12(5-6-13(19)20)14(17(4)16-11)18-9-7-15(2,3)8-10-18/h5-6H,7-10H2,1-4H3,(H,19,20)
InChIKeySSJQLGRILDTTMI-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.45
Rot. Bonds3

About 3-[5-(4,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid

3-[5-(4,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid (PubChem CID 76981083) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[5-(4,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[5-(4,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid
PubChem CID76981083
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[5-(4,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid
SMILESCc1nn(C)c(N2CCC(C)(C)CC2)c1C=CC(=O)O
InChIInChI=1S/C15H23N3O2/c1-11-12(5-6-13(19)20)14(17(4)16-11)18-9-7-15(2,3)8-10-18/h5-6H,7-10H2,1-4H3,(H,19,20)
InChIKeySSJQLGRILDTTMI-UHFFFAOYSA-N
XLogP2.45
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[5-(4,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[5-(azepan-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid
CID 29018716
(E)-3-[5-(3,6-dihydro-2H-pyridin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid
CID 114411470
3-[5-(3,4-dimethylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid
CID 77002743
3-[1,3-dimethyl-5-(4-methyl-3-oxopiperazin-1-yl)pyrazol-4-yl]prop-2-enoic acid
CID 77052014
5-(4,4-dimethylazepan-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 65281403
(E)-3-[5-(3,5-diethylpyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid
CID 82698681
5-(4-ethyl-4-methylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 63158446
(E)-3-(5-indazol-2-yl-1,3-dimethylpyrazol-4-yl)prop-2-enoic acid
CID 66859486
3-[5-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid
CID 77022695
(E)-3-[5-(4-bromopyrazol-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid
CID 54909846
(E)-3-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80634012
3-[5-(2-ethyl-3-oxopiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid
CID 77000446

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid?
The IUPAC name of 3-[5-(4,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid (CID 76981083) is 3-[5-(4,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid.
What is the SMILES notation for 3-[5-(4,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid?
The canonical SMILES for 3-[5-(4,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid is Cc1nn(C)c(N2CCC(C)(C)CC2)c1C=CC(=O)O.
What is the InChIKey of 3-[5-(4,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid?
The InChIKey is SSJQLGRILDTTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-12(5-6-13(19)20)14(17(4)16-11)18-9-7-15(2,3)8-10-18/h5-6H,7-10H2,1-4H3,(H,19,20).
What are the key properties of 3-[5-(4,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid?
3-[5-(4,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid has a molecular weight of 277.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4,4-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid is sourced from PubChem (CID 76981083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).