N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide

C21H24FN5O3 — CID 56580288

IUPACN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
SMILESCc1c(C(C)NC(=O)C2CCC3(CC2)NC(=O)NC3=O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H24FN5O3/c1-12(17-11-23-27(13(17)2)16-5-3-15(22)4-6-16)24-18(28)14-7-9-21(10-8-14)19(29)25-20(30)26-21/h3-6,11-12,14H,7-10H2,1-2H3,(H,24,28)(H2,25,26,29,30)
InChIKeyUPTFRTZWNPWMGZ-UHFFFAOYSA-N
MW413.45 g/mol
LogP2.27
Rot. Bonds4

About N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide

N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 56580288) has the molecular formula C21H24FN5O3 and a molecular weight of 413.45 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
PubChem CID56580288
Molecular FormulaC21H24FN5O3
Molecular Weight413.45 g/mol
Exact Mass413.19
IUPAC NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
SMILESCc1c(C(C)NC(=O)C2CCC3(CC2)NC(=O)NC3=O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H24FN5O3/c1-12(17-11-23-27(13(17)2)16-5-3-15(22)4-6-16)24-18(28)14-7-9-21(10-8-14)19(29)25-20(30)26-21/h3-6,11-12,14H,7-10H2,1-2H3,(H,24,28)(H2,25,26,29,30)
InChIKeyUPTFRTZWNPWMGZ-UHFFFAOYSA-N
XLogP2.27
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119292381
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide
CID 55617267
3-amino-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119729016
1-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(oxan-4-yl)urea
CID 129370928
(2S,5R)-5-(aminomethyl)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]oxolane-2-carboxamide
CID 120787930
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885634
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119729044
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119729024
N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]cyclopropanecarboxamide
CID 42890550
(2S)-N-[2-[[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523483
N-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 94806257
(2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 52523485

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide (CID 56580288) is N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide is Cc1c(C(C)NC(=O)C2CCC3(CC2)NC(=O)NC3=O)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is UPTFRTZWNPWMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O3/c1-12(17-11-23-27(13(17)2)16-5-3-15(22)4-6-16)24-18(28)14-7-9-21(10-8-14)19(29)25-20(30)26-21/h3-6,11-12,14H,7-10H2,1-2H3,(H,24,28)(H2,25,26,29,30).
What are the key properties of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 413.45 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 56580288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).