N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

C11H15F3N4O — CID 175781529

IUPACN-piperidin-4-yl-4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCNCC1)c1[nH]ncc1CC(F)(F)F
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)5-7-6-16-18-9(7)10(19)17-8-1-3-15-4-2-8/h6,8,15H,1-5H2,(H,16,18)(H,17,19)
InChIKeyMREWXPHURCLZRK-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.00
Rot. Bonds3

About N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (PubChem CID 175781529) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
PubChem CID175781529
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC NameN-piperidin-4-yl-4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCNCC1)c1[nH]ncc1CC(F)(F)F
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)5-7-6-16-18-9(7)10(19)17-8-1-3-15-4-2-8/h6,8,15H,1-5H2,(H,16,18)(H,17,19)
InChIKeyMREWXPHURCLZRK-UHFFFAOYSA-N
XLogP1.00
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (CID 175781529) is N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is O=C(NC1CCNCC1)c1[nH]ncc1CC(F)(F)F.
What is the InChIKey of N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is MREWXPHURCLZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)5-7-6-16-18-9(7)10(19)17-8-1-3-15-4-2-8/h6,8,15H,1-5H2,(H,16,18)(H,17,19).
What are the key properties of N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 175781529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).