1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpiperidine-3-carboxylic acid

C13H21N3O3 — CID 65068621

IUPAC1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(Cc2cnn(CCO)c2)C1
InChIInChI=1S/C13H21N3O3/c1-13(12(18)19)3-2-4-15(10-13)8-11-7-14-16(9-11)5-6-17/h7,9,17H,2-6,8,10H2,1H3,(H,18,19)
InChIKeyYGVHLNDCVLYPFO-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.56
Rot. Bonds5

About 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpiperidine-3-carboxylic acid

1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 65068621) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID65068621
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(Cc2cnn(CCO)c2)C1
InChIInChI=1S/C13H21N3O3/c1-13(12(18)19)3-2-4-15(10-13)8-11-7-14-16(9-11)5-6-17/h7,9,17H,2-6,8,10H2,1H3,(H,18,19)
InChIKeyYGVHLNDCVLYPFO-UHFFFAOYSA-N
XLogP0.56
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65063923
(3R)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815538
(3S)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815537
1-[(1-propylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 103573389
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 104823891
2-[4-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)pyrazol-1-yl]ethanol
CID 102849304
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137019
3-methyl-1-[(4-nitrophenyl)methyl]piperidine-3-carboxylic acid
CID 63136944
3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid
CID 63136416
1-[(5-bromothiophen-3-yl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137235
1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 65068526
3-methyl-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylic acid
CID 63137246

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpiperidine-3-carboxylic acid (CID 65068621) is 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(Cc2cnn(CCO)c2)C1.
What is the InChIKey of 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is YGVHLNDCVLYPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(12(18)19)3-2-4-15(10-13)8-11-7-14-16(9-11)5-6-17/h7,9,17H,2-6,8,10H2,1H3,(H,18,19).
What are the key properties of 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpiperidine-3-carboxylic acid?
1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 65068621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).