[3-[3-(2-fluoro-4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

C18H24FN5O4S — CID 177076305

IUPAC[3-[3-(2-fluoro-4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC1CCC(c2cc(Nc3ccc(S(N)(=O)=O)cc3F)n[nH]2)C1
InChIInChI=1S/C18H24FN5O4S/c1-10(2)21-18(25)28-12-4-3-11(7-12)16-9-17(24-23-16)22-15-6-5-13(8-14(15)19)29(20,26)27/h5-6,8-12H,3-4,7H2,1-2H3,(H,21,25)(H2,20,26,27)(H2,22,23,24)
InChIKeyRDAADQSXMDINDU-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.71
Rot. Bonds6

About [3-[3-(2-fluoro-4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

[3-[3-(2-fluoro-4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 177076305) has the molecular formula C18H24FN5O4S and a molecular weight of 425.49 g/mol. Its IUPAC name is [3-[3-(2-fluoro-4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[3-[3-(2-fluoro-4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
PubChem CID177076305
Molecular FormulaC18H24FN5O4S
Molecular Weight425.49 g/mol
Exact Mass425.15
IUPAC Name[3-[3-(2-fluoro-4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC1CCC(c2cc(Nc3ccc(S(N)(=O)=O)cc3F)n[nH]2)C1
InChIInChI=1S/C18H24FN5O4S/c1-10(2)21-18(25)28-12-4-3-11(7-12)16-9-17(24-23-16)22-15-6-5-13(8-14(15)19)29(20,26)27/h5-6,8-12H,3-4,7H2,1-2H3,(H,21,25)(H2,20,26,27)(H2,22,23,24)
InChIKeyRDAADQSXMDINDU-UHFFFAOYSA-N
XLogP2.71
TPSA139.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[(1S,3R)-3-[3-[2-fluoro-4-(2-hydroxyethylsulfamoyl)anilino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076291
[3-[3-(4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
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[(1S,3R)-3-[3-[(6-fluoro-1,3-dihydro-2-benzothiophen-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
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[(1R,3S)-3-[3-[(6-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170623855
[3-[3-[[5-(methanesulfonamido)-6-methoxy-2-pyridinyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
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[3-[3-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
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[(1R,3S)-3-[2-(2-fluoro-4-sulfamoylanilino)pyrimidin-5-yl]cyclopentyl] N-[(1S)-1-(3-cyanophenyl)ethyl]carbamate
CID 171087477
[(1R,3S)-3-[3-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170623798
[(1R,3S)-3-[3-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
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[(1R,3S)-3-[3-[4-[(methylsulfonimidoyl)methyl]anilino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
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propan-2-yl N-[3-[3-[4-(deuteriomethylsulfonyl)-2-fluoroanilino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
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[(1R,3S)-3-[3-[(1,1-difluoro-2,3-dihydroinden-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170623280

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-fluoro-4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [3-[3-(2-fluoro-4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 177076305) is [3-[3-(2-fluoro-4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [3-[3-(2-fluoro-4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [3-[3-(2-fluoro-4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is CC(C)NC(=O)OC1CCC(c2cc(Nc3ccc(S(N)(=O)=O)cc3F)n[nH]2)C1.
What is the InChIKey of [3-[3-(2-fluoro-4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is RDAADQSXMDINDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O4S/c1-10(2)21-18(25)28-12-4-3-11(7-12)16-9-17(24-23-16)22-15-6-5-13(8-14(15)19)29(20,26)27/h5-6,8-12H,3-4,7H2,1-2H3,(H,21,25)(H2,20,26,27)(H2,22,23,24).
What are the key properties of [3-[3-(2-fluoro-4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
[3-[3-(2-fluoro-4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 425.49 g/mol, XLogP of 2.71, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-fluoro-4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 177076305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).