5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid

C15H17N5O3 — CID 138001709

IUPAC5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)N2CCC(Cn3cccn3)CC2)cn1
InChIInChI=1S/C15H17N5O3/c21-14(12-8-17-13(9-16-12)15(22)23)19-6-2-11(3-7-19)10-20-5-1-4-18-20/h1,4-5,8-9,11H,2-3,6-7,10H2,(H,22,23)
InChIKeyMOWVLODEZPCLHN-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.92
Rot. Bonds4

About 5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid

5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid (PubChem CID 138001709) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
PubChem CID138001709
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)N2CCC(Cn3cccn3)CC2)cn1
InChIInChI=1S/C15H17N5O3/c21-14(12-8-17-13(9-16-12)15(22)23)19-6-2-11(3-7-19)10-20-5-1-4-18-20/h1,4-5,8-9,11H,2-3,6-7,10H2,(H,22,23)
InChIKeyMOWVLODEZPCLHN-UHFFFAOYSA-N
XLogP0.92
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 90495097
(4-methylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494869
cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495103
(2-bromophenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494885
(2-aminophenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119947130
(5-methyl-1-phenylpyrazol-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495061
6-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122048040
(2-methylsulfanylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494929
[6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95193057
N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 71781180
2-methyl-6-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 90495112

Frequently Asked Questions

What is the IUPAC name of 5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid (CID 138001709) is 5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)N2CCC(Cn3cccn3)CC2)cn1.
What is the InChIKey of 5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid?
The InChIKey is MOWVLODEZPCLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c21-14(12-8-17-13(9-16-12)15(22)23)19-6-2-11(3-7-19)10-20-5-1-4-18-20/h1,4-5,8-9,11H,2-3,6-7,10H2,(H,22,23).
What are the key properties of 5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid?
5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 138001709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).