N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C18H23F3N6O2 — CID 19338689

IUPACN-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)Nc1cnn(C)c1C(=O)N1CCCCC1
InChIInChI=1S/C18H23F3N6O2/c1-11-9-14(18(19,20)21)24-27(11)12(2)16(28)23-13-10-22-25(3)15(13)17(29)26-7-5-4-6-8-26/h9-10,12H,4-8H2,1-3H3,(H,23,28)
InChIKeyIFOMDCSVDURUHM-UHFFFAOYSA-N
MW412.42 g/mol
LogP2.77
Rot. Bonds4

About N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19338689) has the molecular formula C18H23F3N6O2 and a molecular weight of 412.42 g/mol. Its IUPAC name is N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID19338689
Molecular FormulaC18H23F3N6O2
Molecular Weight412.42 g/mol
Exact Mass412.18
IUPAC NameN-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)Nc1cnn(C)c1C(=O)N1CCCCC1
InChIInChI=1S/C18H23F3N6O2/c1-11-9-14(18(19,20)21)24-27(11)12(2)16(28)23-13-10-22-25(3)15(13)17(29)26-7-5-4-6-8-26/h9-10,12H,4-8H2,1-3H3,(H,23,28)
InChIKeyIFOMDCSVDURUHM-UHFFFAOYSA-N
XLogP2.77
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19338689) is N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1cc(C(F)(F)F)nn1C(C)C(=O)Nc1cnn(C)c1C(=O)N1CCCCC1.
What is the InChIKey of N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is IFOMDCSVDURUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N6O2/c1-11-9-14(18(19,20)21)24-27(11)12(2)16(28)23-13-10-22-25(3)15(13)17(29)26-7-5-4-6-8-26/h9-10,12H,4-8H2,1-3H3,(H,23,28).
What are the key properties of N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 412.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19338689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).