1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpiperidine-3-carboxylic acid

C14H23N3O2 — CID 65197110

IUPAC1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpiperidine-3-carboxylic acid
SMILESCc1nn(C)cc1C(C)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H23N3O2/c1-10-12(8-16(4)15-10)11(2)17-7-5-6-14(3,9-17)13(18)19/h8,11H,5-7,9H2,1-4H3,(H,18,19)
InChIKeyBTYOIBXFPYSGBF-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.98
Rot. Bonds3

About 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpiperidine-3-carboxylic acid

1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 65197110) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID65197110
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpiperidine-3-carboxylic acid
SMILESCc1nn(C)cc1C(C)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H23N3O2/c1-10-12(8-16(4)15-10)11(2)17-7-5-6-14(3,9-17)13(18)19/h8,11H,5-7,9H2,1-4H3,(H,18,19)
InChIKeyBTYOIBXFPYSGBF-UHFFFAOYSA-N
XLogP1.98
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)propanoic acid
CID 6485397
2-(1,4-dimethyl-1H-pyrazol-3-yl)acetic acid
CID 67528971
3-(1,3-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 19621371
1-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]-3-(3-methyl-2-buten-1-yl)-3-piperidinecarboxylic acid
CID 72883546
(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97145406
3,3-dimethyl-5-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]pentanoic acid
CID 164638209
[4-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]acetic acid
CID 67528936
(1,4-dimethyl-1H-pyrazol-5-yl)acetic acid
CID 67530460
2-[4-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]propanoic acid
CID 67531308
3-(1,5-dimethyl-1H-pyrazol-4-yl)-2,2-dimethylpropanoic acid
CID 165833803
3-(1,3-dimethyl-1H-pyrazol-4-yl)-2,2-dimethylpropanoic acid
CID 165833808
1-[1-(1,3-Dimethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65196811

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpiperidine-3-carboxylic acid (CID 65197110) is 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpiperidine-3-carboxylic acid is Cc1nn(C)cc1C(C)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is BTYOIBXFPYSGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-12(8-16(4)15-10)11(2)17-7-5-6-14(3,9-17)13(18)19/h8,11H,5-7,9H2,1-4H3,(H,18,19).
What are the key properties of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpiperidine-3-carboxylic acid?
1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 65197110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).