N-[[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

C17H24F2N4O2 — CID 136539219

IUPACN-[[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCN(C(=O)C3CCC(F)(F)C3)CC2)cn1
InChIInChI=1S/C17H24F2N4O2/c1-22-11-14(10-21-22)15(24)20-9-12-3-6-23(7-4-12)16(25)13-2-5-17(18,19)8-13/h10-13H,2-9H2,1H3,(H,20,24)
InChIKeyMPKSWJJLVCHYHJ-UHFFFAOYSA-N
MW354.40 g/mol
LogP1.82
Rot. Bonds4

About N-[[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

N-[[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 136539219) has the molecular formula C17H24F2N4O2 and a molecular weight of 354.40 g/mol. Its IUPAC name is N-[[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID136539219
Molecular FormulaC17H24F2N4O2
Molecular Weight354.40 g/mol
Exact Mass354.19
IUPAC NameN-[[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCN(C(=O)C3CCC(F)(F)C3)CC2)cn1
InChIInChI=1S/C17H24F2N4O2/c1-22-11-14(10-21-22)15(24)20-9-12-3-6-23(7-4-12)16(25)13-2-5-17(18,19)8-13/h10-13H,2-9H2,1H3,(H,20,24)
InChIKeyMPKSWJJLVCHYHJ-UHFFFAOYSA-N
XLogP1.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 136539219) is N-[[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCC2CCN(C(=O)C3CCC(F)(F)C3)CC2)cn1.
What is the InChIKey of N-[[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is MPKSWJJLVCHYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4O2/c1-22-11-14(10-21-22)15(24)20-9-12-3-6-23(7-4-12)16(25)13-2-5-17(18,19)8-13/h10-13H,2-9H2,1H3,(H,20,24).
What are the key properties of N-[[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 354.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 136539219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).