(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid

C12H19N3O2 — CID 129494393

IUPAC(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid
SMILESCc1n[nH]c(C)c1CN1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C12H19N3O2/c1-8-11(9(2)14-13-8)7-15-5-3-4-10(6-15)12(16)17/h10H,3-7H2,1-2H3,(H,13,14)(H,16,17)/t10-/m0/s1
InChIKeyZXLDHYDTMHBOHF-JTQLQIEISA-N
MW237.30 g/mol
LogP1.32
Rot. Bonds3

About (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid

(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 129494393) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid
PubChem CID129494393
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid
SMILESCc1n[nH]c(C)c1CN1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C12H19N3O2/c1-8-11(9(2)14-13-8)7-15-5-3-4-10(6-15)12(16)17/h10H,3-7H2,1-2H3,(H,13,14)(H,16,17)/t10-/m0/s1
InChIKeyZXLDHYDTMHBOHF-JTQLQIEISA-N
XLogP1.32
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid
CID 84613412
(3S,4S)-4-cyclopropyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 72861162
(3S)-1-[(2-chloro-6-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24905028
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976111
1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031207
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-one
CID 112709136
1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid
CID 3997008
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50949222
(3R)-1-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 40647229
1-[(2-chloro-6-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 114322169
1-[(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 4044656
(3S)-1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904719

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid (CID 129494393) is (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid is Cc1n[nH]c(C)c1CN1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is ZXLDHYDTMHBOHF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-11(9(2)14-13-8)7-15-5-3-4-10(6-15)12(16)17/h10H,3-7H2,1-2H3,(H,13,14)(H,16,17)/t10-/m0/s1.
What are the key properties of (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid?
(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 129494393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).