2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetic acid

C13H18N4O2 — CID 55241135

IUPAC2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetic acid
SMILESCc1nn(C)c(N2CCCCC2CC(=O)O)c1C#N
InChIInChI=1S/C13H18N4O2/c1-9-11(8-14)13(16(2)15-9)17-6-4-3-5-10(17)7-12(18)19/h10H,3-7H2,1-2H3,(H,18,19)
InChIKeyPRLKVPZHPNVEQQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.43
Rot. Bonds3

About 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetic acid

2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetic acid (PubChem CID 55241135) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetic acid
PubChem CID55241135
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetic acid
SMILESCc1nn(C)c(N2CCCCC2CC(=O)O)c1C#N
InChIInChI=1S/C13H18N4O2/c1-9-11(8-14)13(16(2)15-9)17-6-4-3-5-10(17)7-12(18)19/h10H,3-7H2,1-2H3,(H,18,19)
InChIKeyPRLKVPZHPNVEQQ-UHFFFAOYSA-N
XLogP1.43
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetic acid (CID 55241135) is 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetic acid is Cc1nn(C)c(N2CCCCC2CC(=O)O)c1C#N.
What is the InChIKey of 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetic acid?
The InChIKey is PRLKVPZHPNVEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9-11(8-14)13(16(2)15-9)17-6-4-3-5-10(17)7-12(18)19/h10H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetic acid?
2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 55241135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).