2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid

C15H24N2O2 — CID 81008075

IUPAC2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCCc1cc(CC2CCCCC2C(=O)O)n(CC)n1
InChIInChI=1S/C15H24N2O2/c1-3-12-10-13(17(4-2)16-12)9-11-7-5-6-8-14(11)15(18)19/h10-11,14H,3-9H2,1-2H3,(H,18,19)
InChIKeyYTSBLKQVTBQEFI-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.90
Rot. Bonds5

About 2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid

2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 81008075) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid
PubChem CID81008075
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCCc1cc(CC2CCCCC2C(=O)O)n(CC)n1
InChIInChI=1S/C15H24N2O2/c1-3-12-10-13(17(4-2)16-12)9-11-7-5-6-8-14(11)15(18)19/h10-11,14H,3-9H2,1-2H3,(H,18,19)
InChIKeyYTSBLKQVTBQEFI-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033085
(1,3-diethylpyrazol-5-yl)-(2-ethylcyclohexyl)methanone
CID 105102372
2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cycloheptane-1-carboxylic acid
CID 81013078
1-[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016860
2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66120397
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]ethanamine
CID 81018330
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017024
2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-2-methylpropanoic acid
CID 83147790
2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone
CID 116547487
2-[(4-ethylphenyl)methyl]cycloheptane-1-carboxylic acid
CID 81009224
2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 107058978
2-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 81008175

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid (CID 81008075) is 2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid is CCc1cc(CC2CCCCC2C(=O)O)n(CC)n1.
What is the InChIKey of 2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is YTSBLKQVTBQEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-12-10-13(17(4-2)16-12)9-11-7-5-6-8-14(11)15(18)19/h10-11,14H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid?
2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 264.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81008075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).