ethyl 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate

C18H25N5O3 — CID 45213629

IUPACethyl 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(Cn3nc(C)cc3C)[nH]n2)C1
InChIInChI=1S/C18H25N5O3/c1-4-26-18(25)14-6-5-7-22(10-14)17(24)16-9-15(19-20-16)11-23-13(3)8-12(2)21-23/h8-9,14H,4-7,10-11H2,1-3H3,(H,19,20)
InChIKeyYZCKPUFYLLCBQR-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.69
Rot. Bonds5

About ethyl 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate

ethyl 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate (PubChem CID 45213629) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate
PubChem CID45213629
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Nameethyl 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(Cn3nc(C)cc3C)[nH]n2)C1
InChIInChI=1S/C18H25N5O3/c1-4-26-18(25)14-6-5-7-22(10-14)17(24)16-9-15(19-20-16)11-23-13(3)8-12(2)21-23/h8-9,14H,4-7,10-11H2,1-3H3,(H,19,20)
InChIKeyYZCKPUFYLLCBQR-UHFFFAOYSA-N
XLogP1.69
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (3R)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate
CID 42529647
ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 81338249
(3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119173853
ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 81345143
ethyl (3S)-1-[1-(difluoromethyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylate
CID 51388847
ethyl 1-(6-methylpyridine-2-carbonyl)piperidine-3-carboxylate
CID 43423232
ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103803360
ethyl 1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidine-3-carboxylate
CID 121066862
ethyl (3R)-1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 51939226
ethyl 1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylate
CID 136832041
ethyl (3S)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxylate
CID 81345352
(3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 119381090

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate (CID 45213629) is ethyl 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cc(Cn3nc(C)cc3C)[nH]n2)C1.
What is the InChIKey of ethyl 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate?
The InChIKey is YZCKPUFYLLCBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-4-26-18(25)14-6-5-7-22(10-14)17(24)16-9-15(19-20-16)11-23-13(3)8-12(2)21-23/h8-9,14H,4-7,10-11H2,1-3H3,(H,19,20).
What are the key properties of ethyl 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate?
ethyl 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 45213629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).