1-[(5-pyrrol-1-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylic acid

C14H18N4O2 — CID 53212723

IUPAC1-[(5-pyrrol-1-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cn[nH]c2-n2cccc2)CC1
InChIInChI=1S/C14H18N4O2/c19-14(20)11-3-7-17(8-4-11)10-12-9-15-16-13(12)18-5-1-2-6-18/h1-2,5-6,9,11H,3-4,7-8,10H2,(H,15,16)(H,19,20)
InChIKeyQOAWBIMBSAFQAO-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.50
Rot. Bonds4

About 1-[(5-pyrrol-1-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylic acid

1-[(5-pyrrol-1-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 53212723) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[(5-pyrrol-1-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-pyrrol-1-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylic acid
PubChem CID53212723
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-[(5-pyrrol-1-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cn[nH]c2-n2cccc2)CC1
InChIInChI=1S/C14H18N4O2/c19-14(20)11-3-7-17(8-4-11)10-12-9-15-16-13(12)18-5-1-2-6-18/h1-2,5-6,9,11H,3-4,7-8,10H2,(H,15,16)(H,19,20)
InChIKeyQOAWBIMBSAFQAO-UHFFFAOYSA-N
XLogP1.50
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(pyrrolidin-1-ylmethyl)-1H-pyrazole-5-carboxylic acid
CID 117216590
1-[(2-cyclopropylphenyl)methyl]piperidine-4-carboxylic acid
CID 79982598
4-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 91775235
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
1-[(2-nitrophenyl)methyl]piperidine-4-carboxylic acid
CID 3450780
1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759101
1-[(2-hydroxy-5-phenylphenyl)methyl]piperidine-4-carboxylic acid
CID 166237351
1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid
CID 50896517
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
1-(5-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxylic acid
CID 165469091
5-pyrrolidin-1-yl-1H-pyrazole-4-carboxylic acid
CID 83618694
1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 91838509

Frequently Asked Questions

What is the IUPAC name of 1-[(5-pyrrol-1-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(5-pyrrol-1-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylic acid (CID 53212723) is 1-[(5-pyrrol-1-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5-pyrrol-1-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5-pyrrol-1-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2cn[nH]c2-n2cccc2)CC1.
What is the InChIKey of 1-[(5-pyrrol-1-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is QOAWBIMBSAFQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-14(20)11-3-7-17(8-4-11)10-12-9-15-16-13(12)18-5-1-2-6-18/h1-2,5-6,9,11H,3-4,7-8,10H2,(H,15,16)(H,19,20).
What are the key properties of 1-[(5-pyrrol-1-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylic acid?
1-[(5-pyrrol-1-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-pyrrol-1-yl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 53212723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).