1-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]cyclohexane-1-carboxylic acid

C14H21N3O3 — CID 120539320

IUPAC1-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)N(C)C2(C(=O)O)CCCCC2)nn1C
InChIInChI=1S/C14H21N3O3/c1-10-9-11(15-17(10)3)12(18)16(2)14(13(19)20)7-5-4-6-8-14/h9H,4-8H2,1-3H3,(H,19,20)
InChIKeyWMKOSUQSWWUUNI-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.59
Rot. Bonds3

About 1-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]cyclohexane-1-carboxylic acid

1-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]cyclohexane-1-carboxylic acid (PubChem CID 120539320) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]cyclohexane-1-carboxylic acid
PubChem CID120539320
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]cyclohexane-1-carboxylic acid
SMILESCc1cc(C(=O)N(C)C2(C(=O)O)CCCCC2)nn1C
InChIInChI=1S/C14H21N3O3/c1-10-9-11(15-17(10)3)12(18)16(2)14(13(19)20)7-5-4-6-8-14/h9H,4-8H2,1-3H3,(H,19,20)
InChIKeyWMKOSUQSWWUUNI-UHFFFAOYSA-N
XLogP1.59
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]cyclohexane-1-carboxylic acid (CID 120539320) is 1-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]cyclohexane-1-carboxylic acid is Cc1cc(C(=O)N(C)C2(C(=O)O)CCCCC2)nn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is WMKOSUQSWWUUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-9-11(15-17(10)3)12(18)16(2)14(13(19)20)7-5-4-6-8-14/h9H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 1-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]cyclohexane-1-carboxylic acid?
1-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120539320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).