ethyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate

C19H21F3N4O3 — CID 26725643

IUPACethyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)CC1
InChIInChI=1S/C19H21F3N4O3/c1-2-29-18(28)25-10-6-13(7-11-25)17(27)24-15-12-14(19(20,21)22)4-5-16(15)26-9-3-8-23-26/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3,(H,24,27)
InChIKeyPOCFKJWDKUVEQT-UHFFFAOYSA-N
MW410.40 g/mol
LogP3.70
Rot. Bonds4

About ethyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate

ethyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 26725643) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is ethyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate
PubChem CID26725643
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC Nameethyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)CC1
InChIInChI=1S/C19H21F3N4O3/c1-2-29-18(28)25-10-6-13(7-11-25)17(27)24-15-12-14(19(20,21)22)4-5-16(15)26-9-3-8-23-26/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3,(H,24,27)
InChIKeyPOCFKJWDKUVEQT-UHFFFAOYSA-N
XLogP3.70
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 46616677
2-cyclopentyloxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 51117583
1-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074970
ethyl 2-methyl-6-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55633563
1-acetyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 108804445
2-(4-methoxyphenoxy)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 26725520
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725448
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725440
1-methyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]pyrrolidin-2-one
CID 167917048
4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725796
2-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 78817314
2-(3-fluoro-4-methoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 26725790

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate (CID 26725643) is ethyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)CC1.
What is the InChIKey of ethyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is POCFKJWDKUVEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-2-29-18(28)25-10-6-13(7-11-25)17(27)24-15-12-14(19(20,21)22)4-5-16(15)26-9-3-8-23-26/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3,(H,24,27).
What are the key properties of ethyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate?
ethyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 410.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 26725643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).