N-piperidin-4-yl-4-[(2,4,6-trifluorobenzoyl)amino]-1H-pyrazole-5-carboxamide

C16H16F3N5O2 — CID 24971322

IUPACN-piperidin-4-yl-4-[(2,4,6-trifluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C16H16F3N5O2/c17-8-5-10(18)13(11(19)6-8)15(25)23-12-7-21-24-14(12)16(26)22-9-1-3-20-4-2-9/h5-7,9,20H,1-4H2,(H,21,24)(H,22,26)(H,23,25)
InChIKeyFQTJEZMOBVVNAD-UHFFFAOYSA-N
MW367.33 g/mol
LogP1.56
Rot. Bonds4

About N-piperidin-4-yl-4-[(2,4,6-trifluorobenzoyl)amino]-1H-pyrazole-5-carboxamide

N-piperidin-4-yl-4-[(2,4,6-trifluorobenzoyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 24971322) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is N-piperidin-4-yl-4-[(2,4,6-trifluorobenzoyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-4-[(2,4,6-trifluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID24971322
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC NameN-piperidin-4-yl-4-[(2,4,6-trifluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C16H16F3N5O2/c17-8-5-10(18)13(11(19)6-8)15(25)23-12-7-21-24-14(12)16(26)22-9-1-3-20-4-2-9/h5-7,9,20H,1-4H2,(H,21,24)(H,22,26)(H,23,25)
InChIKeyFQTJEZMOBVVNAD-UHFFFAOYSA-N
XLogP1.56
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-4-[(2,4,6-trifluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-piperidin-4-yl-4-[(2,4,6-trifluorobenzoyl)amino]-1H-pyrazole-5-carboxamide (CID 24971322) is N-piperidin-4-yl-4-[(2,4,6-trifluorobenzoyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-4-[(2,4,6-trifluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-piperidin-4-yl-4-[(2,4,6-trifluorobenzoyl)amino]-1H-pyrazole-5-carboxamide is O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of N-piperidin-4-yl-4-[(2,4,6-trifluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is FQTJEZMOBVVNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c17-8-5-10(18)13(11(19)6-8)15(25)23-12-7-21-24-14(12)16(26)22-9-1-3-20-4-2-9/h5-7,9,20H,1-4H2,(H,21,24)(H,22,26)(H,23,25).
What are the key properties of N-piperidin-4-yl-4-[(2,4,6-trifluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
N-piperidin-4-yl-4-[(2,4,6-trifluorobenzoyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 367.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-4-[(2,4,6-trifluorobenzoyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 24971322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).