ethyl 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate

C26H29N3O5 — CID 27555135

IUPACethyl 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C26H29N3O5/c1-4-34-26(31)18-12-14-28(15-13-18)25(30)21-17-29(20-8-6-5-7-9-20)27-24(21)19-10-11-22(32-2)23(16-19)33-3/h5-11,16-18H,4,12-15H2,1-3H3
InChIKeyFOKDKGWZFANPCQ-UHFFFAOYSA-N
MW463.53 g/mol
LogP3.97
Rot. Bonds7

About ethyl 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate

ethyl 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate (PubChem CID 27555135) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is ethyl 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate
PubChem CID27555135
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Nameethyl 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C26H29N3O5/c1-4-34-26(31)18-12-14-28(15-13-18)25(30)21-17-29(20-8-6-5-7-9-20)27-24(21)19-10-11-22(32-2)23(16-19)33-3/h5-11,16-18H,4,12-15H2,1-3H3
InChIKeyFOKDKGWZFANPCQ-UHFFFAOYSA-N
XLogP3.97
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469903
ethyl 1-[2-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate
CID 55311360
[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 24667286
4-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-2-one
CID 31096486
N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-ethyl-1-phenylpyrazole-4-carboxamide
CID 86939949
[1-[3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55949559
methyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate
CID 51153893
3-(3,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 112795990
(3S)-1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124693422
ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761172
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200826
N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 9296494

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate (CID 27555135) is ethyl 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of ethyl 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate?
The InChIKey is FOKDKGWZFANPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-4-34-26(31)18-12-14-28(15-13-18)25(30)21-17-29(20-8-6-5-7-9-20)27-24(21)19-10-11-22(32-2)23(16-19)33-3/h5-11,16-18H,4,12-15H2,1-3H3.
What are the key properties of ethyl 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate?
ethyl 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate has a molecular weight of 463.53 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 27555135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).