5-ethyl-1-pyridin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide;dihydrochloride

C18H25Cl2F3N6O — CID 120810988

IUPAC5-ethyl-1-pyridin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide;dihydrochloride
SMILESCCc1c(C(=O)NCC(N2CCNCC2)C(F)(F)F)cnn1-c1ccccn1.Cl.Cl
InChIInChI=1S/C18H23F3N6O.2ClH/c1-2-14-13(11-25-27(14)16-5-3-4-6-23-16)17(28)24-12-15(18(19,20)21)26-9-7-22-8-10-26;;/h3-6,11,15,22H,2,7-10,12H2,1H3,(H,24,28);2*1H
InChIKeyXRKSFYRHIMNKSC-UHFFFAOYSA-N
MW469.34 g/mol
LogP2.24
Rot. Bonds6

About 5-ethyl-1-pyridin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide;dihydrochloride

5-ethyl-1-pyridin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide;dihydrochloride (PubChem CID 120810988) has the molecular formula C18H25Cl2F3N6O and a molecular weight of 469.34 g/mol. Its IUPAC name is 5-ethyl-1-pyridin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-ethyl-1-pyridin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide;dihydrochloride
PubChem CID120810988
Molecular FormulaC18H25Cl2F3N6O
Molecular Weight469.34 g/mol
Exact Mass468.14
IUPAC Name5-ethyl-1-pyridin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide;dihydrochloride
SMILESCCc1c(C(=O)NCC(N2CCNCC2)C(F)(F)F)cnn1-c1ccccn1.Cl.Cl
InChIInChI=1S/C18H23F3N6O.2ClH/c1-2-14-13(11-25-27(14)16-5-3-4-6-23-16)17(28)24-12-15(18(19,20)21)26-9-7-22-8-10-26;;/h3-6,11,15,22H,2,7-10,12H2,1H3,(H,24,28);2*1H
InChIKeyXRKSFYRHIMNKSC-UHFFFAOYSA-N
XLogP2.24
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-1-(2-methylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide;hydrochloride
CID 120811554
2-ethoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811350
2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813828
5-ethyl-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55604161
2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813829
5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 119433437
5-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55660071
4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 119352538
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 87043673
3-methyl-1-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide
CID 120813285
4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrrole-3-carboxamide
CID 120811961
2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 120811797

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-pyridin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide;dihydrochloride?
The IUPAC name of 5-ethyl-1-pyridin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide;dihydrochloride (CID 120810988) is 5-ethyl-1-pyridin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 5-ethyl-1-pyridin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 5-ethyl-1-pyridin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide;dihydrochloride is CCc1c(C(=O)NCC(N2CCNCC2)C(F)(F)F)cnn1-c1ccccn1.Cl.Cl.
What is the InChIKey of 5-ethyl-1-pyridin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide;dihydrochloride?
The InChIKey is XRKSFYRHIMNKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N6O.2ClH/c1-2-14-13(11-25-27(14)16-5-3-4-6-23-16)17(28)24-12-15(18(19,20)21)26-9-7-22-8-10-26;;/h3-6,11,15,22H,2,7-10,12H2,1H3,(H,24,28);2*1H.
What are the key properties of 5-ethyl-1-pyridin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide;dihydrochloride?
5-ethyl-1-pyridin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide;dihydrochloride has a molecular weight of 469.34 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-pyridin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120810988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).