methyl 1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole-4-carboxylate

C14H19N5O2 — CID 103107476

IUPACmethyl 1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(Cc2ccn(C3CCCCC3)n2)nn1
InChIInChI=1S/C14H19N5O2/c1-21-14(20)13-10-18(17-15-13)9-11-7-8-19(16-11)12-5-3-2-4-6-12/h7-8,10,12H,2-6,9H2,1H3
InChIKeyJHCYZRNEKBNCBR-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.81
Rot. Bonds4

About methyl 1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole-4-carboxylate

methyl 1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole-4-carboxylate (PubChem CID 103107476) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is methyl 1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole-4-carboxylate
PubChem CID103107476
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Namemethyl 1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(Cc2ccn(C3CCCCC3)n2)nn1
InChIInChI=1S/C14H19N5O2/c1-21-14(20)13-10-18(17-15-13)9-11-7-8-19(16-11)12-5-3-2-4-6-12/h7-8,10,12H,2-6,9H2,1H3
InChIKeyJHCYZRNEKBNCBR-UHFFFAOYSA-N
XLogP1.81
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-carboxylate
CID 163333274
methyl 1-cyclohexyltriazole-4-carboxylate
CID 103689291
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]ethanol
CID 64778669
4-(chloromethyl)-1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole
CID 64778866
2-[1-[(1-cyclohexylpyrazol-3-yl)methyl]triazol-4-yl]propan-2-amine
CID 64779259
methyl 1-[(1-butan-2-ylpyrazol-3-yl)methyl]triazole-4-carboxylate
CID 103108014
4-(1-bromoethyl)-1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole
CID 81448654
methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate
CID 64800870
[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]-phenylmethanol
CID 146121632
dimethyl 2-[(1-cyclopentylpyrazol-3-yl)methyl]propanedioate
CID 103972375
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]ethanamine
CID 64776990
4-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64783426

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole-4-carboxylate?
The IUPAC name of methyl 1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole-4-carboxylate (CID 103107476) is methyl 1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole-4-carboxylate.
What is the SMILES notation for methyl 1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole-4-carboxylate?
The canonical SMILES for methyl 1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole-4-carboxylate is COC(=O)c1cn(Cc2ccn(C3CCCCC3)n2)nn1.
What is the InChIKey of methyl 1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole-4-carboxylate?
The InChIKey is JHCYZRNEKBNCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-21-14(20)13-10-18(17-15-13)9-11-7-8-19(16-11)12-5-3-2-4-6-12/h7-8,10,12H,2-6,9H2,1H3.
What are the key properties of methyl 1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole-4-carboxylate?
methyl 1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole-4-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole-4-carboxylate is sourced from PubChem (CID 103107476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).