[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-tert-butyl-5-cyclopropylpyrazole-3-carboxylate

C19H26N4O3 — CID 71887830

IUPAC[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-tert-butyl-5-cyclopropylpyrazole-3-carboxylate
SMILESCC(C)(C)n1nc(C(=O)OCC(=O)NC2(C#N)CCCC2)cc1C1CC1
InChIInChI=1S/C19H26N4O3/c1-18(2,3)23-15(13-6-7-13)10-14(22-23)17(25)26-11-16(24)21-19(12-20)8-4-5-9-19/h10,13H,4-9,11H2,1-3H3,(H,21,24)
InChIKeyRMJDWAKDZFCFNP-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.62
Rot. Bonds5

About [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-tert-butyl-5-cyclopropylpyrazole-3-carboxylate

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-tert-butyl-5-cyclopropylpyrazole-3-carboxylate (PubChem CID 71887830) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-tert-butyl-5-cyclopropylpyrazole-3-carboxylate.

Molecular Properties

Compound Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-tert-butyl-5-cyclopropylpyrazole-3-carboxylate
PubChem CID71887830
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-tert-butyl-5-cyclopropylpyrazole-3-carboxylate
SMILESCC(C)(C)n1nc(C(=O)OCC(=O)NC2(C#N)CCCC2)cc1C1CC1
InChIInChI=1S/C19H26N4O3/c1-18(2,3)23-15(13-6-7-13)10-14(22-23)17(25)26-11-16(24)21-19(12-20)8-4-5-9-19/h10,13H,4-9,11H2,1-3H3,(H,21,24)
InChIKeyRMJDWAKDZFCFNP-UHFFFAOYSA-N
XLogP2.62
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 7862875
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxylate
CID 27112401
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] pyridine-4-carboxylate
CID 7783889
[(2R)-1-amino-1-oxopropan-2-yl] 1-tert-butyl-5-cyclopropylpyrazole-3-carboxylate
CID 94398436
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] cyclopentanecarboxylate
CID 7717691
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870804
1-tert-butyl-5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 120889149
N-(1-cyanocyclohexyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetamide
CID 122246431
1-tert-butyl-5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 111436087
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620571
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] anthracene-9-carboxylate
CID 7786656
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-tert-butyl-5-cyclopropylpyrazole-3-carboxylate?
The IUPAC name of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-tert-butyl-5-cyclopropylpyrazole-3-carboxylate (CID 71887830) is [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-tert-butyl-5-cyclopropylpyrazole-3-carboxylate.
What is the SMILES notation for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-tert-butyl-5-cyclopropylpyrazole-3-carboxylate?
The canonical SMILES for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-tert-butyl-5-cyclopropylpyrazole-3-carboxylate is CC(C)(C)n1nc(C(=O)OCC(=O)NC2(C#N)CCCC2)cc1C1CC1.
What is the InChIKey of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-tert-butyl-5-cyclopropylpyrazole-3-carboxylate?
The InChIKey is RMJDWAKDZFCFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-18(2,3)23-15(13-6-7-13)10-14(22-23)17(25)26-11-16(24)21-19(12-20)8-4-5-9-19/h10,13H,4-9,11H2,1-3H3,(H,21,24).
What are the key properties of [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-tert-butyl-5-cyclopropylpyrazole-3-carboxylate?
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-tert-butyl-5-cyclopropylpyrazole-3-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-tert-butyl-5-cyclopropylpyrazole-3-carboxylate is sourced from PubChem (CID 71887830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).