4-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]cyclohexane-1-carboxylic acid

C13H19N3O3 — CID 93329821

IUPAC4-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]cyclohexane-1-carboxylic acid
SMILESC[C@H](C(=O)NC1CCC(C(=O)O)CC1)n1cccn1
InChIInChI=1S/C13H19N3O3/c1-9(16-8-2-7-14-16)12(17)15-11-5-3-10(4-6-11)13(18)19/h2,7-11H,3-6H2,1H3,(H,15,17)(H,18,19)/t9-,10?,11?/m1/s1
InChIKeyMJMGYAVEDVEHLG-KPPDAEKUSA-N
MW265.31 g/mol
LogP1.20
Rot. Bonds4

About 4-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]cyclohexane-1-carboxylic acid

4-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 93329821) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID93329821
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]cyclohexane-1-carboxylic acid
SMILESC[C@H](C(=O)NC1CCC(C(=O)O)CC1)n1cccn1
InChIInChI=1S/C13H19N3O3/c1-9(16-8-2-7-14-16)12(17)15-11-5-3-10(4-6-11)13(18)19/h2,7-11H,3-6H2,1H3,(H,15,17)(H,18,19)/t9-,10?,11?/m1/s1
InChIKeyMJMGYAVEDVEHLG-KPPDAEKUSA-N
XLogP1.20
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]cyclobutane-1-carboxylic acid
CID 126439290
methyl 4-(2-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylate
CID 115617096
N-cycloheptyl-2-pyrazol-1-ylpropanamide
CID 47156273
4-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 119230000
N-piperidin-3-yl-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119424500
(2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 95134540
1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-carboxylic acid
CID 129493584
1-(2-pyrazol-1-ylpropanoylamino)cyclopropane-1-carboxylic acid
CID 65453195
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide
CID 81424644
(2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
CID 98759043
(2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
CID 100844368

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]cyclohexane-1-carboxylic acid (CID 93329821) is 4-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]cyclohexane-1-carboxylic acid is C[C@H](C(=O)NC1CCC(C(=O)O)CC1)n1cccn1.
What is the InChIKey of 4-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is MJMGYAVEDVEHLG-KPPDAEKUSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(16-8-2-7-14-16)12(17)15-11-5-3-10(4-6-11)13(18)19/h2,7-11H,3-6H2,1H3,(H,15,17)(H,18,19)/t9-,10?,11?/m1/s1.
What are the key properties of 4-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]cyclohexane-1-carboxylic acid?
4-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 93329821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).