3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]propanoic acid

C15H25N3O2 — CID 64772396

IUPAC3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]propanoic acid
SMILESCC(C)n1ccc(CN2CCC(CCC(=O)O)CC2)n1
InChIInChI=1S/C15H25N3O2/c1-12(2)18-10-7-14(16-18)11-17-8-5-13(6-9-17)3-4-15(19)20/h7,10,12-13H,3-6,8-9,11H2,1-2H3,(H,19,20)
InChIKeyCNVXSNOPJCVVTO-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.54
Rot. Bonds6

About 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]propanoic acid

3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]propanoic acid (PubChem CID 64772396) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]propanoic acid
PubChem CID64772396
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]propanoic acid
SMILESCC(C)n1ccc(CN2CCC(CCC(=O)O)CC2)n1
InChIInChI=1S/C15H25N3O2/c1-12(2)18-10-7-14(16-18)11-17-8-5-13(6-9-17)3-4-15(19)20/h7,10,12-13H,3-6,8-9,11H2,1-2H3,(H,19,20)
InChIKeyCNVXSNOPJCVVTO-UHFFFAOYSA-N
XLogP2.54
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]propanoic 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

[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
CID 64771254
3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]propanoic acid
CID 64772222
3-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanoic acid
CID 81320286
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918076
2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 82868707
3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114502720
4-(2-bromoethoxy)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine
CID 82691245
3-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]propanoic acid
CID 62216848
1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64771238
2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid
CID 64771683
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 65062691
N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905844

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]propanoic acid (CID 64772396) is 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]propanoic acid is CC(C)n1ccc(CN2CCC(CCC(=O)O)CC2)n1.
What is the InChIKey of 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]propanoic acid?
The InChIKey is CNVXSNOPJCVVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(2)18-10-7-14(16-18)11-17-8-5-13(6-9-17)3-4-15(19)20/h7,10,12-13H,3-6,8-9,11H2,1-2H3,(H,19,20).
What are the key properties of 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]propanoic acid?
3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]propanoic acid has a molecular weight of 279.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 64772396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).