N-[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C19H20F2N4O2 — CID 24793181

IUPACN-[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)c2c(F)cccc2F)CC1)C1CC1
InChIInChI=1S/C19H20F2N4O2/c20-14-2-1-3-15(21)17(14)19(27)24-10-7-13(8-11-24)25-16(6-9-22-25)23-18(26)12-4-5-12/h1-3,6,9,12-13H,4-5,7-8,10-11H2,(H,23,26)
InChIKeySEOPPIOBNRIXGI-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.99
Rot. Bonds4

About N-[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 24793181) has the molecular formula C19H20F2N4O2 and a molecular weight of 374.39 g/mol. Its IUPAC name is N-[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID24793181
Molecular FormulaC19H20F2N4O2
Molecular Weight374.39 g/mol
Exact Mass374.16
IUPAC NameN-[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)c2c(F)cccc2F)CC1)C1CC1
InChIInChI=1S/C19H20F2N4O2/c20-14-2-1-3-15(21)17(14)19(27)24-10-7-13(8-11-24)25-16(6-9-22-25)23-18(26)12-4-5-12/h1-3,6,9,12-13H,4-5,7-8,10-11H2,(H,23,26)
InChIKeySEOPPIOBNRIXGI-UHFFFAOYSA-N
XLogP2.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 24793181) is N-[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is O=C(Nc1ccnn1C1CCN(C(=O)c2c(F)cccc2F)CC1)C1CC1.
What is the InChIKey of N-[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is SEOPPIOBNRIXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O2/c20-14-2-1-3-15(21)17(14)19(27)24-10-7-13(8-11-24)25-16(6-9-22-25)23-18(26)12-4-5-12/h1-3,6,9,12-13H,4-5,7-8,10-11H2,(H,23,26).
What are the key properties of N-[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 374.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,6-difluorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 24793181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).