[(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate

C20H28N4O4 — CID 170073903

IUPAC[(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate
SMILESCC(=O)[C@H]1C[C@@H]1C(=O)Nc1cc([C@H]2CC[C@@H](OC(=O)NC3(C)CCC3)C2)[nH]n1
InChIInChI=1S/C20H28N4O4/c1-11(25)14-9-15(14)18(26)21-17-10-16(23-24-17)12-4-5-13(8-12)28-19(27)22-20(2)6-3-7-20/h10,12-15H,3-9H2,1-2H3,(H,22,27)(H2,21,23,24,26)/t12-,13+,14+,15-/m0/s1
InChIKeyZYZUHTNULWUUFA-YJNKXOJESA-N
MW388.47 g/mol
LogP2.88
Rot. Bonds6

About [(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate

[(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate (PubChem CID 170073903) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate
PubChem CID170073903
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name[(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate
SMILESCC(=O)[C@H]1C[C@@H]1C(=O)Nc1cc([C@H]2CC[C@@H](OC(=O)NC3(C)CCC3)C2)[nH]n1
InChIInChI=1S/C20H28N4O4/c1-11(25)14-9-15(14)18(26)21-17-10-16(23-24-17)12-4-5-13(8-12)28-19(27)22-20(2)6-3-7-20/h10,12-15H,3-9H2,1-2H3,(H,22,27)(H2,21,23,24,26)/t12-,13+,14+,15-/m0/s1
InChIKeyZYZUHTNULWUUFA-YJNKXOJESA-N
XLogP2.88
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R,3S)-3-[3-(phenylmethoxycarbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate
CID 154616677
[(1R,3S)-3-[3-[[2-(5-methylpyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616562
[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-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170075539
[(1R,3S)-3-[3-[[3-(methylamino)-1,2,4-triazin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 168895214
[(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-methoxy-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616684
[(1R,3S)-3-[3-[[2-(3-chloro-4-methyl-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616585
[3-[3-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanoylamino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167143151
[3-[3-[[2-(2-formyl-3-hydroxy-5-methoxyphenoxy)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 176998441
[3-[3-[[(1Z,3E)-2-methyl-1-[methyl(3-methylbut-2-en-2-yl)amino]hexa-1,3-dienyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 168894898
[(1R,3S)-3-[3-[(3-methoxy-1,2,4-triazin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 168895247

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate?
The IUPAC name of [(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate (CID 170073903) is [(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate?
The canonical SMILES for [(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate is CC(=O)[C@H]1C[C@@H]1C(=O)Nc1cc([C@H]2CC[C@@H](OC(=O)NC3(C)CCC3)C2)[nH]n1.
What is the InChIKey of [(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate?
The InChIKey is ZYZUHTNULWUUFA-YJNKXOJESA-N. The full InChI is InChI=1S/C20H28N4O4/c1-11(25)14-9-15(14)18(26)21-17-10-16(23-24-17)12-4-5-13(8-12)28-19(27)22-20(2)6-3-7-20/h10,12-15H,3-9H2,1-2H3,(H,22,27)(H2,21,23,24,26)/t12-,13+,14+,15-/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate?
[(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate has a molecular weight of 388.47 g/mol, XLogP of 2.88, 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-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate is sourced from PubChem (CID 170073903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).