[3-(3-propan-2-yl-1H-pyrazol-5-yl)cyclopentyl] formate

C12H18N2O2 — CID 177323847

IUPAC[3-(3-propan-2-yl-1H-pyrazol-5-yl)cyclopentyl] formate
SMILESCC(C)c1cc(C2CCC(OC=O)C2)[nH]n1
InChIInChI=1S/C12H18N2O2/c1-8(2)11-6-12(14-13-11)9-3-4-10(5-9)16-7-15/h6-10H,3-5H2,1-2H3,(H,13,14)
InChIKeyGHQFJXYNPHNASY-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.34
Rot. Bonds4

About [3-(3-propan-2-yl-1H-pyrazol-5-yl)cyclopentyl] formate

[3-(3-propan-2-yl-1H-pyrazol-5-yl)cyclopentyl] formate (PubChem CID 177323847) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [3-(3-propan-2-yl-1H-pyrazol-5-yl)cyclopentyl] formate.

Molecular Properties

Compound Name[3-(3-propan-2-yl-1H-pyrazol-5-yl)cyclopentyl] formate
PubChem CID177323847
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[3-(3-propan-2-yl-1H-pyrazol-5-yl)cyclopentyl] formate
SMILESCC(C)c1cc(C2CCC(OC=O)C2)[nH]n1
InChIInChI=1S/C12H18N2O2/c1-8(2)11-6-12(14-13-11)9-3-4-10(5-9)16-7-15/h6-10H,3-5H2,1-2H3,(H,13,14)
InChIKeyGHQFJXYNPHNASY-UHFFFAOYSA-N
XLogP2.34
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] formate;1-cyclopropyl-N-methylethanamine
CID 168894882
[3-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] formate;N-methylpropan-1-amine
CID 168895028
[3-[3-[[2-(2-formyl-3-hydroxy-5-methoxyphenoxy)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] formate
CID 176998396
[(1R,3S)-3-(3-amino-1H-pyrazol-5-yl)cyclopentyl] N-(3-fluorobutan-2-yl)carbamate
CID 170075167
1-cyclopent-3-en-1-yl-3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 166293926
[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95188466
[3-[3-[(4-fluoro-2-sulfanylidene-1,3-dihydro-2-benzothiophen-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] formate;2-methyl-2-(methylamino)propan-1-ol
CID 176714874
N-(3-methoxy-2,3,3a,4-tetrahydro-1-benzothiophen-5-yl)-5-(3-methoxycyclopentyl)-1H-pyrazol-3-amine;N-propan-2-ylformamide
CID 170623405
[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
CID 56717963
5-[3-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole
CID 166249631
1-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methylpropan-1-amine
CID 83849771
[(1S,3R)-3-[3-[(5-dimethylphosphoryl-2-pyridinyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076434

Frequently Asked Questions

What is the IUPAC name of [3-(3-propan-2-yl-1H-pyrazol-5-yl)cyclopentyl] formate?
The IUPAC name of [3-(3-propan-2-yl-1H-pyrazol-5-yl)cyclopentyl] formate (CID 177323847) is [3-(3-propan-2-yl-1H-pyrazol-5-yl)cyclopentyl] formate.
What is the SMILES notation for [3-(3-propan-2-yl-1H-pyrazol-5-yl)cyclopentyl] formate?
The canonical SMILES for [3-(3-propan-2-yl-1H-pyrazol-5-yl)cyclopentyl] formate is CC(C)c1cc(C2CCC(OC=O)C2)[nH]n1.
What is the InChIKey of [3-(3-propan-2-yl-1H-pyrazol-5-yl)cyclopentyl] formate?
The InChIKey is GHQFJXYNPHNASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)11-6-12(14-13-11)9-3-4-10(5-9)16-7-15/h6-10H,3-5H2,1-2H3,(H,13,14).
What are the key properties of [3-(3-propan-2-yl-1H-pyrazol-5-yl)cyclopentyl] formate?
[3-(3-propan-2-yl-1H-pyrazol-5-yl)cyclopentyl] formate has a molecular weight of 222.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-propan-2-yl-1H-pyrazol-5-yl)cyclopentyl] formate is sourced from PubChem (CID 177323847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).