4-[(1-tert-butylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C15H23N3O3 — CID 119229039

IUPAC4-[(1-tert-butylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)n1cc(C(=O)NC2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)18-9-11(8-16-18)13(19)17-12-6-4-10(5-7-12)14(20)21/h8-10,12H,4-7H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyRWCKFHIPHRINSJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.01
Rot. Bonds3

About 4-[(1-tert-butylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(1-tert-butylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 119229039) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[(1-tert-butylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-tert-butylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID119229039
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-[(1-tert-butylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)n1cc(C(=O)NC2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)18-9-11(8-16-18)13(19)17-12-6-4-10(5-7-12)14(20)21/h8-10,12H,4-7H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyRWCKFHIPHRINSJ-UHFFFAOYSA-N
XLogP2.01
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-tert-butylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-tert-butylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 119229039) is 4-[(1-tert-butylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-tert-butylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-tert-butylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is CC(C)(C)n1cc(C(=O)NC2CCC(C(=O)O)CC2)cn1.
What is the InChIKey of 4-[(1-tert-butylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is RWCKFHIPHRINSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)18-9-11(8-16-18)13(19)17-12-6-4-10(5-7-12)14(20)21/h8-10,12H,4-7H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 4-[(1-tert-butylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(1-tert-butylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-tert-butylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).