N-ethyl-1-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]piperidine-3-carboxamide

C22H27FN4O2 — CID 49051196

IUPACN-ethyl-1-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)C1
InChIInChI=1S/C22H27FN4O2/c1-2-24-21(28)15-6-5-13-26(14-15)22(29)20-18-7-3-4-8-19(18)27(25-20)17-11-9-16(23)10-12-17/h9-12,15H,2-8,13-14H2,1H3,(H,24,28)
InChIKeyKEMDWWAPVFRZAE-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.88
Rot. Bonds4

About N-ethyl-1-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]piperidine-3-carboxamide

N-ethyl-1-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]piperidine-3-carboxamide (PubChem CID 49051196) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is N-ethyl-1-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]piperidine-3-carboxamide
PubChem CID49051196
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC NameN-ethyl-1-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)C1
InChIInChI=1S/C22H27FN4O2/c1-2-24-21(28)15-6-5-13-26(14-15)22(29)20-18-7-3-4-8-19(18)27(25-20)17-11-9-16(23)10-12-17/h9-12,15H,2-8,13-14H2,1H3,(H,24,28)
InChIKeyKEMDWWAPVFRZAE-UHFFFAOYSA-N
XLogP2.88
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 119113579
[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 75495801
N-(2-aminoethyl)-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)piperidine-3-carboxamide
CID 119480197
[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488015
1-(4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24633446
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 51314027
[1-(ethylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate
CID 16612255
1-(4-fluorophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18279681
2-[4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
CID 119248759
(3-aminopiperidin-1-yl)-[1-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl]methanone
CID 119378590
[1-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 55702702
1-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24605170

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]piperidine-3-carboxamide (CID 49051196) is N-ethyl-1-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]piperidine-3-carboxamide is CCNC(=O)C1CCCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)C1.
What is the InChIKey of N-ethyl-1-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]piperidine-3-carboxamide?
The InChIKey is KEMDWWAPVFRZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-2-24-21(28)15-6-5-13-26(14-15)22(29)20-18-7-3-4-8-19(18)27(25-20)17-11-9-16(23)10-12-17/h9-12,15H,2-8,13-14H2,1H3,(H,24,28).
What are the key properties of N-ethyl-1-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]piperidine-3-carboxamide?
N-ethyl-1-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 49051196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).