1-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid

C14H21N3O3 — CID 43172032

IUPAC1-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1n[nH]c(C)c1CC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H21N3O3/c1-9-11(10(2)17-16-9)8-12(18)15-14(13(19)20)6-4-3-5-7-14/h3-8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyAECITZJPIFKFNZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.47
Rot. Bonds4

About 1-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid

1-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 43172032) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID43172032
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1n[nH]c(C)c1CC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H21N3O3/c1-9-11(10(2)17-16-9)8-12(18)15-14(13(19)20)6-4-3-5-7-14/h3-8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyAECITZJPIFKFNZ-UHFFFAOYSA-N
XLogP1.47
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 43172032) is 1-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid is Cc1n[nH]c(C)c1CC(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is AECITZJPIFKFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-11(10(2)17-16-9)8-12(18)15-14(13(19)20)6-4-3-5-7-14/h3-8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 1-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
1-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43172032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).