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

C15H22N4O2 — CID 63756788

IUPAC2-[1-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclohexyl]acetic acid
SMILESCc1nn(C)c(NCC2(CC(=O)O)CCCCC2)c1C#N
InChIInChI=1S/C15H22N4O2/c1-11-12(9-16)14(19(2)18-11)17-10-15(8-13(20)21)6-4-3-5-7-15/h17H,3-8,10H2,1-2H3,(H,20,21)
InChIKeyZIZXXFZJXRWBBD-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.44
Rot. Bonds5

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

2-[1-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclohexyl]acetic acid (PubChem CID 63756788) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[1-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclohexyl]acetic acid
PubChem CID63756788
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[1-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclohexyl]acetic acid
SMILESCc1nn(C)c(NCC2(CC(=O)O)CCCCC2)c1C#N
InChIInChI=1S/C15H22N4O2/c1-11-12(9-16)14(19(2)18-11)17-10-15(8-13(20)21)6-4-3-5-7-15/h17H,3-8,10H2,1-2H3,(H,20,21)
InChIKeyZIZXXFZJXRWBBD-UHFFFAOYSA-N
XLogP2.44
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
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)amino]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclohexyl]acetic acid (CID 63756788) is 2-[1-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclohexyl]acetic acid is Cc1nn(C)c(NCC2(CC(=O)O)CCCCC2)c1C#N.
What is the InChIKey of 2-[1-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclohexyl]acetic acid?
The InChIKey is ZIZXXFZJXRWBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-12(9-16)14(19(2)18-11)17-10-15(8-13(20)21)6-4-3-5-7-15/h17H,3-8,10H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclohexyl]acetic acid?
2-[1-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclohexyl]acetic acid has a molecular weight of 290.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 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)amino]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 63756788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).