trans-(1S,2S)-2-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid

C15H23N3O3 — CID 51425381

IUPACtrans-(1S,2S)-2-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCn1nccc1[C@@H](C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C15H23N3O3/c1-3-18-13(8-9-16-18)10(2)17-14(19)11-6-4-5-7-12(11)15(20)21/h8-12H,3-7H2,1-2H3,(H,17,19)(H,20,21)/t10-,11+,12+/m1/s1
InChIKeyQEOBQTGKXWURIL-WOPDTQHZSA-N
MW293.37 g/mol
LogP1.97
Rot. Bonds5

About trans-(1S,2S)-2-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid

trans-(1S,2S)-2-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 51425381) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID51425381
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametrans-(1S,2S)-2-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCn1nccc1[C@@H](C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C15H23N3O3/c1-3-18-13(8-9-16-18)10(2)17-14(19)11-6-4-5-7-12(11)15(20)21/h8-12H,3-7H2,1-2H3,(H,17,19)(H,20,21)/t10-,11+,12+/m1/s1
InChIKeyQEOBQTGKXWURIL-WOPDTQHZSA-N
XLogP1.97
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1S,2S)-2-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114092665
2-[1-(3,4-dichlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978108
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026
cis-(1R,2S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 1257858
2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19414972
2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977968
N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414242
2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114158369
2-[1-(3,4-difluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 126786554
2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19415098
2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63841768
2-[1-(3-bromophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60941223

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 51425381) is trans-(1S,2S)-2-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid is CCn1nccc1[C@@H](C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)O.
What is the InChIKey of trans-(1S,2S)-2-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is QEOBQTGKXWURIL-WOPDTQHZSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-18-13(8-9-16-18)10(2)17-14(19)11-6-4-5-7-12(11)15(20)21/h8-12H,3-7H2,1-2H3,(H,17,19)(H,20,21)/t10-,11+,12+/m1/s1.
What are the key properties of trans-(1S,2S)-2-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid?
trans-(1S,2S)-2-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 51425381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).