3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide

C17H19F3N6O3 — CID 128998957

IUPAC3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide
SMILESNC(=O)c1cn[nH]c1C1CCCN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1
InChIInChI=1S/C17H19F3N6O3/c18-17(19,20)9-29-13-4-3-11(6-22-13)24-16(28)26-5-1-2-10(8-26)14-12(15(21)27)7-23-25-14/h3-4,6-7,10H,1-2,5,8-9H2,(H2,21,27)(H,23,25)(H,24,28)
InChIKeyRWJQIHQMSJTXIB-UHFFFAOYSA-N
MW412.37 g/mol
LogP2.26
Rot. Bonds5

About 3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide

3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide (PubChem CID 128998957) has the molecular formula C17H19F3N6O3 and a molecular weight of 412.37 g/mol. Its IUPAC name is 3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide
PubChem CID128998957
Molecular FormulaC17H19F3N6O3
Molecular Weight412.37 g/mol
Exact Mass412.15
IUPAC Name3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide
SMILESNC(=O)c1cn[nH]c1C1CCCN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1
InChIInChI=1S/C17H19F3N6O3/c18-17(19,20)9-29-13-4-3-11(6-22-13)24-16(28)26-5-1-2-10(8-26)14-12(15(21)27)7-23-25-14/h3-4,6-7,10H,1-2,5,8-9H2,(H2,21,27)(H,23,25)(H,24,28)
InChIKeyRWJQIHQMSJTXIB-UHFFFAOYSA-N
XLogP2.26
TPSA126.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(4-tert-butylsulfanylphenyl)-3-(4-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 129324030
4-(4-fluorobenzoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,4-diazepane-1-carboxamide
CID 112829411
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide
CID 47041273
(3S)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 129325198
N-(4-fluorophenyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 110214013
4-benzamido-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide
CID 47041270
4-(pyridin-3-ylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazine-1-carboxamide
CID 55743974
5-[1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 166196863
1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 122084895
(3R)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-1-carboxamide
CID 129324013
[3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 119490982
(3S)-3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxamide
CID 95768258

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide?
The IUPAC name of 3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide (CID 128998957) is 3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide is NC(=O)c1cn[nH]c1C1CCCN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1.
What is the InChIKey of 3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide?
The InChIKey is RWJQIHQMSJTXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O3/c18-17(19,20)9-29-13-4-3-11(6-22-13)24-16(28)26-5-1-2-10(8-26)14-12(15(21)27)7-23-25-14/h3-4,6-7,10H,1-2,5,8-9H2,(H2,21,27)(H,23,25)(H,24,28).
What are the key properties of 3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide?
3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide has a molecular weight of 412.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide is sourced from PubChem (CID 128998957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).