N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide

C16H18F2N4O — CID 56787136

IUPACN-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCN(Cc2c(F)cccc2F)C1)c1ccn[nH]1
InChIInChI=1S/C16H18F2N4O/c17-13-4-1-5-14(18)12(13)10-22-8-2-3-11(9-22)20-16(23)15-6-7-19-21-15/h1,4-7,11H,2-3,8-10H2,(H,19,21)(H,20,23)
InChIKeyQSSFNMLLJOPZNS-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.08
Rot. Bonds4

About N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide

N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 56787136) has the molecular formula C16H18F2N4O and a molecular weight of 320.34 g/mol. Its IUPAC name is N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID56787136
Molecular FormulaC16H18F2N4O
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC NameN-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCN(Cc2c(F)cccc2F)C1)c1ccn[nH]1
InChIInChI=1S/C16H18F2N4O/c17-13-4-1-5-14(18)12(13)10-22-8-2-3-11(9-22)20-16(23)15-6-7-19-21-15/h1,4-7,11H,2-3,8-10H2,(H,19,21)(H,20,23)
InChIKeyQSSFNMLLJOPZNS-UHFFFAOYSA-N
XLogP2.08
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-4H-pyrazole-3-carboxamide
CID 24864078
(((2,6-difluorophenyl)carbonyl)amino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 24864079
4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 24864082
{[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide
CID 11268094
N-(Cyclopropylmethyl)-4-(2,6-difluorobenzamido)-1H-pyrazole-3-carboxamide
CID 24971318
Pyrazole diamide, 25
CID 24971319
Pyrazole diamide, 27
CID 24971321
Pyrazole diamide, 30
CID 24971322
US10022354, Example 183
CID 121279732
Cdkl5/gsk3-IN-1
CID 59733332
3-(4-fluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 145970598
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide (CID 56787136) is N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide is O=C(NC1CCCN(Cc2c(F)cccc2F)C1)c1ccn[nH]1.
What is the InChIKey of N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is QSSFNMLLJOPZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O/c17-13-4-1-5-14(18)12(13)10-22-8-2-3-11(9-22)20-16(23)15-6-7-19-21-15/h1,4-7,11H,2-3,8-10H2,(H,19,21)(H,20,23).
What are the key properties of N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide?
N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 320.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56787136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).