1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid

C11H17N3O2 — CID 19623245

IUPAC1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
SMILESCn1cc(CN2CCCC(C(=O)O)C2)cn1
InChIInChI=1S/C11H17N3O2/c1-13-6-9(5-12-13)7-14-4-2-3-10(8-14)11(15)16/h5-6,10H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyJJHDTCVJUXVQDK-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.72
Rot. Bonds3

About 1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid

1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 19623245) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
PubChem CID19623245
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
SMILESCn1cc(CN2CCCC(C(=O)O)C2)cn1
InChIInChI=1S/C11H17N3O2/c1-13-6-9(5-12-13)7-14-4-2-3-10(8-14)11(15)16/h5-6,10H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyJJHDTCVJUXVQDK-UHFFFAOYSA-N
XLogP0.72
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxylic acid
CID 6485339
3-(1-methyl-1H-pyrazol-4-yl)butanoic acid
CID 81009246
1-methyl-3-(1-methyl-1H-pyrazol-4-yl)piperidine-4-carboxylic acid dihydrochloride
CID 137832751
1-methyl-8-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72923455
5-[4-(Trifluoromethyl)pyrazol-1-yl]pentanoic acid
CID 64174596
2,2-Dimethyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentanoic acid
CID 65255309
2-[4-(Trifluoromethyl)pyrazol-1-yl]cyclobutane-1-carboxylic acid
CID 80996477
3-[1-(2-Fluoro-2-methylpropyl)pyrazol-4-yl]propanoic acid
CID 84680320
3-(1-Ethylpyrazol-4-yl)-2-fluoropropanoic acid
CID 103570020
2-Fluoro-3-(1-propylpyrazol-4-yl)propanoic acid
CID 103572286
1-[[1-Methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine-3-carboxylic acid;hydrochloride
CID 120355220
1-[[1-Methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 120355221

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid (CID 19623245) is 1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid is Cn1cc(CN2CCCC(C(=O)O)C2)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is JJHDTCVJUXVQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13-6-9(5-12-13)7-14-4-2-3-10(8-14)11(15)16/h5-6,10H,2-4,7-8H2,1H3,(H,15,16).
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 19623245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).