1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-ethyltriazole-4-carboxylic acid

C14H19N5O2 — CID 64778276

IUPAC1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-ethyltriazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)nnn1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H19N5O2/c1-2-12-13(14(20)21)15-17-19(12)9-10-7-8-18(16-10)11-5-3-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,20,21)
InChIKeySVUOTXWMVHTSGE-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.90
Rot. Bonds5

About 1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-ethyltriazole-4-carboxylic acid

1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-ethyltriazole-4-carboxylic acid (PubChem CID 64778276) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-ethyltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-ethyltriazole-4-carboxylic acid
PubChem CID64778276
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-ethyltriazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)nnn1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H19N5O2/c1-2-12-13(14(20)21)15-17-19(12)9-10-7-8-18(16-10)11-5-3-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,20,21)
InChIKeySVUOTXWMVHTSGE-UHFFFAOYSA-N
XLogP1.90
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-1-[(1-cyclopentylpyrazol-3-yl)methyl]triazole-4-carboxylic acid
CID 103121957
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 64785538
1-cyclohexyl-3-ethylpyrazole
CID 66014335
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid
CID 64785188
1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83191883
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 64783454
3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylimidazole-4-carboxylic acid
CID 65173009
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64784230
1-[(4-bromophenyl)methyl]-5-ethyltriazole-4-carboxylic acid
CID 53489605
5-ethyl-1-[(4-fluorophenyl)methyl]triazole-4-carboxylic acid
CID 53366340
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid
CID 64784425

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-ethyltriazole-4-carboxylic acid?
The IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-ethyltriazole-4-carboxylic acid (CID 64778276) is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-ethyltriazole-4-carboxylic acid.
What is the SMILES notation for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-ethyltriazole-4-carboxylic acid?
The canonical SMILES for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-ethyltriazole-4-carboxylic acid is CCc1c(C(=O)O)nnn1Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-ethyltriazole-4-carboxylic acid?
The InChIKey is SVUOTXWMVHTSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-12-13(14(20)21)15-17-19(12)9-10-7-8-18(16-10)11-5-3-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,20,21).
What are the key properties of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-ethyltriazole-4-carboxylic acid?
1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-ethyltriazole-4-carboxylic acid has a molecular weight of 289.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-ethyltriazole-4-carboxylic acid is sourced from PubChem (CID 64778276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).