[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] 2-methylazetidine-1-carboxylate

C13H20N4O2 — CID 170612441

IUPAC[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] 2-methylazetidine-1-carboxylate
SMILESCC1CCN1C(=O)OC1CCC(c2cc(N)n[nH]2)C1
InChIInChI=1S/C13H20N4O2/c1-8-4-5-17(8)13(18)19-10-3-2-9(6-10)11-7-12(14)16-15-11/h7-10H,2-6H2,1H3,(H3,14,15,16)
InChIKeyYSKKYGWRMZKQKW-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.86
Rot. Bonds2

About [3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] 2-methylazetidine-1-carboxylate

[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] 2-methylazetidine-1-carboxylate (PubChem CID 170612441) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] 2-methylazetidine-1-carboxylate.

Molecular Properties

Compound Name[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] 2-methylazetidine-1-carboxylate
PubChem CID170612441
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] 2-methylazetidine-1-carboxylate
SMILESCC1CCN1C(=O)OC1CCC(c2cc(N)n[nH]2)C1
InChIInChI=1S/C13H20N4O2/c1-8-4-5-17(8)13(18)19-10-3-2-9(6-10)11-7-12(14)16-15-11/h7-10H,2-6H2,1H3,(H3,14,15,16)
InChIKeyYSKKYGWRMZKQKW-UHFFFAOYSA-N
XLogP1.86
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] (2R)-2-methylazetidine-1-carboxylate
CID 175972510
[(1R,3S)-3-[3-[(3-methyltriazole-4-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate
CID 154616535
[(1R,3S)-3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylazetidine-1-carboxylate
CID 154616537
[(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] N-(3-fluorobutan-2-yl)carbamate
CID 170075167
[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-methylpiperidine-1-carboxylate
CID 154616495
propyl N-[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl]carbamate
CID 171084129
tert-butyl 2-(3-amino-1H-pyrazol-5-yl)-4-methylpiperidine-1-carboxylate
CID 58030183
[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S,3S)-2,3-dimethylazetidine-1-carboxylate
CID 170082112
tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 58029491
tert-butyl (2R)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 58029440
[(1R,3S)-3-[3-[[2-(2-methoxy-4-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-3-methoxy-2-methylazetidine-1-carboxylate
CID 155041079
[3-[3-[(1-methylsulfonylpiperidin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076440

Frequently Asked Questions

What is the IUPAC name of [3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] 2-methylazetidine-1-carboxylate?
The IUPAC name of [3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] 2-methylazetidine-1-carboxylate (CID 170612441) is [3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] 2-methylazetidine-1-carboxylate.
What is the SMILES notation for [3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] 2-methylazetidine-1-carboxylate?
The canonical SMILES for [3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] 2-methylazetidine-1-carboxylate is CC1CCN1C(=O)OC1CCC(c2cc(N)n[nH]2)C1.
What is the InChIKey of [3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] 2-methylazetidine-1-carboxylate?
The InChIKey is YSKKYGWRMZKQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8-4-5-17(8)13(18)19-10-3-2-9(6-10)11-7-12(14)16-15-11/h7-10H,2-6H2,1H3,(H3,14,15,16).
What are the key properties of [3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] 2-methylazetidine-1-carboxylate?
[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] 2-methylazetidine-1-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] 2-methylazetidine-1-carboxylate is sourced from PubChem (CID 170612441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).