[(1R,3S)-3-[3-(phenylmethoxycarbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate

C22H28N4O4 — CID 154616677

IUPAC[(1R,3S)-3-[3-(phenylmethoxycarbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate
SMILESCC1(NC(=O)O[C@@H]2CC[C@H](c3cc(NC(=O)OCc4ccccc4)n[nH]3)C2)CCC1
InChIInChI=1S/C22H28N4O4/c1-22(10-5-11-22)24-21(28)30-17-9-8-16(12-17)18-13-19(26-25-18)23-20(27)29-14-15-6-3-2-4-7-15/h2-4,6-7,13,16-17H,5,8-12,14H2,1H3,(H,24,28)(H2,23,25,26,27)/t16-,17+/m0/s1
InChIKeyJVFNVFVGNVNRPB-DLBZAZTESA-N
MW412.49 g/mol
LogP4.46
Rot. Bonds6

About [(1R,3S)-3-[3-(phenylmethoxycarbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate

[(1R,3S)-3-[3-(phenylmethoxycarbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate (PubChem CID 154616677) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is [(1R,3S)-3-[3-(phenylmethoxycarbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-(phenylmethoxycarbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate
PubChem CID154616677
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name[(1R,3S)-3-[3-(phenylmethoxycarbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate
SMILESCC1(NC(=O)O[C@@H]2CC[C@H](c3cc(NC(=O)OCc4ccccc4)n[nH]3)C2)CCC1
InChIInChI=1S/C22H28N4O4/c1-22(10-5-11-22)24-21(28)30-17-9-8-16(12-17)18-13-19(26-25-18)23-20(27)29-14-15-6-3-2-4-7-15/h2-4,6-7,13,16-17H,5,8-12,14H2,1H3,(H,24,28)(H2,23,25,26,27)/t16-,17+/m0/s1
InChIKeyJVFNVFVGNVNRPB-DLBZAZTESA-N
XLogP4.46
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate
CID 170073903
(4-nitrophenyl) [(1S,3R)-3-[3-(phenylmethoxycarbonylamino)-1H-pyrazol-5-yl]cyclopentyl] carbonate
CID 176898696
[(1S,3R)-3-[3-[(2-phenylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(4-hydroxy-4-methylcyclohexyl)carbamate
CID 154616531
[(1R,3S)-3-[3-[[2-(6-methyl-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616882
[(1R,3S)-3-[3-[[2-(5-methylpyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616562
[(1R,3S)-3-[3-[[2-(5-methoxy-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616684
benzyl N-[5-[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]-1H-pyrazol-3-yl]carbamate
CID 176998560
[(1R,3S)-3-[3-[[2-(2,3-dihydro-1-benzofuran-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(3-methyloxolan-3-yl)carbamate
CID 154616647
[3-[3-[[2-(2-cyclopropyl-1,3-oxazol-4-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 155025446
[(1R,3S)-3-[3-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616670
[3-[3-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167143151
[3-[3-[[2-[3-hydroxy-2-(propan-2-yliminomethyl)phenoxy]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 176998693

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-(phenylmethoxycarbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate?
The IUPAC name of [(1R,3S)-3-[3-(phenylmethoxycarbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate (CID 154616677) is [(1R,3S)-3-[3-(phenylmethoxycarbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate.
What is the SMILES notation for [(1R,3S)-3-[3-(phenylmethoxycarbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate?
The canonical SMILES for [(1R,3S)-3-[3-(phenylmethoxycarbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate is CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(NC(=O)OCc4ccccc4)n[nH]3)C2)CCC1.
What is the InChIKey of [(1R,3S)-3-[3-(phenylmethoxycarbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate?
The InChIKey is JVFNVFVGNVNRPB-DLBZAZTESA-N. The full InChI is InChI=1S/C22H28N4O4/c1-22(10-5-11-22)24-21(28)30-17-9-8-16(12-17)18-13-19(26-25-18)23-20(27)29-14-15-6-3-2-4-7-15/h2-4,6-7,13,16-17H,5,8-12,14H2,1H3,(H,24,28)(H2,23,25,26,27)/t16-,17+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-(phenylmethoxycarbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate?
[(1R,3S)-3-[3-(phenylmethoxycarbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate has a molecular weight of 412.49 g/mol, XLogP of 4.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-(phenylmethoxycarbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate is sourced from PubChem (CID 154616677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).