4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid

C15H21N5O2 — CID 56758097

IUPAC4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
SMILESCCc1cn[nH]c1C1CCCN(Cc2cn[nH]c2C(=O)O)C1
InChIInChI=1S/C15H21N5O2/c1-2-10-6-16-18-13(10)11-4-3-5-20(8-11)9-12-7-17-19-14(12)15(21)22/h6-7,11H,2-5,8-9H2,1H3,(H,16,18)(H,17,19)(H,21,22)
InChIKeyQRATXVMBTCAGND-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.77
Rot. Bonds5

About 4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid

4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 56758097) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
PubChem CID56758097
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
SMILESCCc1cn[nH]c1C1CCCN(Cc2cn[nH]c2C(=O)O)C1
InChIInChI=1S/C15H21N5O2/c1-2-10-6-16-18-13(10)11-4-3-5-20(8-11)9-12-7-17-19-14(12)15(21)22/h6-7,11H,2-5,8-9H2,1H3,(H,16,18)(H,17,19)(H,21,22)
InChIKeyQRATXVMBTCAGND-UHFFFAOYSA-N
XLogP1.77
TPSA97.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid with MolForge

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Related Compounds

4-[[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 95220798
4-(pyrrolidin-1-ylmethyl)-1H-pyrazole-5-carboxylic acid
CID 117216590
1-[5-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1-methylpyrrol-3-yl]ethanone
CID 70781287
4-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 99938873
1-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylpentane-1,2-dione
CID 95214259
2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 125010591
1-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 126466575
ethyl 4-[(3R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 28955767
4-[[(3S)-3-(naphthalene-2-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 95539403
4-[(4-hydroxy-4-methylazepan-1-yl)methyl]-1H-pyrazole-5-carboxylic acid
CID 77094932
ethyl 4-[[(3R)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate
CID 95202974
4-[(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1H-pyrazole-5-carboxylic acid
CID 138386727

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid (CID 56758097) is 4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid is CCc1cn[nH]c1C1CCCN(Cc2cn[nH]c2C(=O)O)C1.
What is the InChIKey of 4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is QRATXVMBTCAGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-2-10-6-16-18-13(10)11-4-3-5-20(8-11)9-12-7-17-19-14(12)15(21)22/h6-7,11H,2-5,8-9H2,1H3,(H,16,18)(H,17,19)(H,21,22).
What are the key properties of 4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 303.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 56758097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).