N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

C17H24F3N7O — CID 126766590

IUPACN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCN(C)CCn1ccc(NC(=O)N2CCCC(n3ccc(C(F)(F)F)n3)C2)n1
InChIInChI=1S/C17H24F3N7O/c1-24(2)10-11-26-8-6-15(23-26)21-16(28)25-7-3-4-13(12-25)27-9-5-14(22-27)17(18,19)20/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,21,23,28)
InChIKeyYSEYZFUVDPZCOK-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.53
Rot. Bonds5

About N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 126766590) has the molecular formula C17H24F3N7O and a molecular weight of 399.42 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID126766590
Molecular FormulaC17H24F3N7O
Molecular Weight399.42 g/mol
Exact Mass399.20
IUPAC NameN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESCN(C)CCn1ccc(NC(=O)N2CCCC(n3ccc(C(F)(F)F)n3)C2)n1
InChIInChI=1S/C17H24F3N7O/c1-24(2)10-11-26-8-6-15(23-26)21-16(28)25-7-3-4-13(12-25)27-9-5-14(22-27)17(18,19)20/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,21,23,28)
InChIKeyYSEYZFUVDPZCOK-UHFFFAOYSA-N
XLogP2.53
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (CID 126766590) is N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is CN(C)CCn1ccc(NC(=O)N2CCCC(n3ccc(C(F)(F)F)n3)C2)n1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is YSEYZFUVDPZCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N7O/c1-24(2)10-11-26-8-6-15(23-26)21-16(28)25-7-3-4-13(12-25)27-9-5-14(22-27)17(18,19)20/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,21,23,28).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 399.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 126766590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).