N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C20H23FN4O3 — CID 24790743

IUPACN-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc(C(=O)N2CCC(n3nccc3NC(=O)C3CC3)CC2)cc1F
InChIInChI=1S/C20H23FN4O3/c1-28-17-5-4-14(12-16(17)21)20(27)24-10-7-15(8-11-24)25-18(6-9-22-25)23-19(26)13-2-3-13/h4-6,9,12-13,15H,2-3,7-8,10-11H2,1H3,(H,23,26)
InChIKeyDGSIQUQSMOZDJK-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.86
Rot. Bonds5

About N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 24790743) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID24790743
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC NameN-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc(C(=O)N2CCC(n3nccc3NC(=O)C3CC3)CC2)cc1F
InChIInChI=1S/C20H23FN4O3/c1-28-17-5-4-14(12-16(17)21)20(27)24-10-7-15(8-11-24)25-18(6-9-22-25)23-19(26)13-2-3-13/h4-6,9,12-13,15H,2-3,7-8,10-11H2,1H3,(H,23,26)
InChIKeyDGSIQUQSMOZDJK-UHFFFAOYSA-N
XLogP2.86
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560290
2-[4-(dimethylamino)phenyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-yl]acetamide
CID 118560399
4-methoxy-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869417
5-Amino-1-(4-methoxybenzoyl)pyrazole-4-carbonitrile
CID 2405928
N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560394
2-[4-(dimethylamino)phenyl]-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 118560472
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 135753063
4-methoxy-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]benzamide
CID 156010447
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-methoxybenzamide
CID 1507263
US20230348426, Example 648
CID 169319398
N-(1-benzyl-1H-pyrazol-3-yl)-2-(4-methoxyphenyl)acetamide
CID 6461757
N-{1-[1-(3-cyclopentylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24790322

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 24790743) is N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is COc1ccc(C(=O)N2CCC(n3nccc3NC(=O)C3CC3)CC2)cc1F.
What is the InChIKey of N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is DGSIQUQSMOZDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-28-17-5-4-14(12-16(17)21)20(27)24-10-7-15(8-11-24)25-18(6-9-22-25)23-19(26)13-2-3-13/h4-6,9,12-13,15H,2-3,7-8,10-11H2,1H3,(H,23,26).
What are the key properties of N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 386.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 24790743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).