[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl] formate

C10H16N2O2 — CID 175584120

IUPAC[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl] formate
SMILESCCn1nc(CC(C)C)cc1OC=O
InChIInChI=1S/C10H16N2O2/c1-4-12-10(14-7-13)6-9(11-12)5-8(2)3/h6-8H,4-5H2,1-3H3
InChIKeyCAROLCXMOUVNSR-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.64
Rot. Bonds5

About [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl] formate

[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl] formate (PubChem CID 175584120) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl] formate.

Molecular Properties

Compound Name[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl] formate
PubChem CID175584120
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl] formate
SMILESCCn1nc(CC(C)C)cc1OC=O
InChIInChI=1S/C10H16N2O2/c1-4-12-10(14-7-13)6-9(11-12)5-8(2)3/h6-8H,4-5H2,1-3H3
InChIKeyCAROLCXMOUVNSR-UHFFFAOYSA-N
XLogP1.64
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-5-(2-methylpropoxy)pyrazole-3-carboxylic acid
CID 129452326
(2R,3S)-2-[[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]amino]-3-hydroxybutanoic acid
CID 72912017
[5-(2-methylpropyl)-1-phenylpyrazol-3-yl] formate
CID 176809773
1-[1-ethyl-5-(2-methylpropyl)pyrazol-3-yl]-N-methylmethanamine
CID 105449455
1-(1-ethyl-5-propan-2-ylpyrazol-3-yl)-N-methylpropan-2-amine
CID 105463537
(1-ethyl-3,5-dimethylpyrazol-4-yl) formate
CID 174359314
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
1-ethyl-N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 131889543
[3-methyl-1-(2-methylpropyl)pyrazol-4-yl] formate
CID 174490934
[1-ethyl-5-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 105439736
N-[(3,5-difluoro-4-methoxyphenyl)methyl]-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 72898422
1-ethyl-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70730522

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl] formate?
The IUPAC name of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl] formate (CID 175584120) is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl] formate.
What is the SMILES notation for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl] formate?
The canonical SMILES for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl] formate is CCn1nc(CC(C)C)cc1OC=O.
What is the InChIKey of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl] formate?
The InChIKey is CAROLCXMOUVNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-12-10(14-7-13)6-9(11-12)5-8(2)3/h6-8H,4-5H2,1-3H3.
What are the key properties of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl] formate?
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl] formate has a molecular weight of 196.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl] formate is sourced from PubChem (CID 175584120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).