[1-(1-cyclopentylethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid

C13H21N3O3 — CID 66665166

IUPAC[1-(1-cyclopentylethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid
SMILESCC(C1CCCC1)N1N=C(CN(C)C(=O)O)CC1=O
InChIInChI=1S/C13H21N3O3/c1-9(10-5-3-4-6-10)16-12(17)7-11(14-16)8-15(2)13(18)19/h9-10H,3-8H2,1-2H3,(H,18,19)
InChIKeyBGFZWOIZPGIKOH-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.76
Rot. Bonds4

About [1-(1-cyclopentylethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid

[1-(1-cyclopentylethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid (PubChem CID 66665166) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is [1-(1-cyclopentylethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid.

Molecular Properties

Compound Name[1-(1-cyclopentylethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid
PubChem CID66665166
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name[1-(1-cyclopentylethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid
SMILESCC(C1CCCC1)N1N=C(CN(C)C(=O)O)CC1=O
InChIInChI=1S/C13H21N3O3/c1-9(10-5-3-4-6-10)16-12(17)7-11(14-16)8-15(2)13(18)19/h9-10H,3-8H2,1-2H3,(H,18,19)
InChIKeyBGFZWOIZPGIKOH-UHFFFAOYSA-N
XLogP1.76
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1-cyclopentylethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid?
The IUPAC name of [1-(1-cyclopentylethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid (CID 66665166) is [1-(1-cyclopentylethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid.
What is the SMILES notation for [1-(1-cyclopentylethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid?
The canonical SMILES for [1-(1-cyclopentylethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid is CC(C1CCCC1)N1N=C(CN(C)C(=O)O)CC1=O.
What is the InChIKey of [1-(1-cyclopentylethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid?
The InChIKey is BGFZWOIZPGIKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(10-5-3-4-6-10)16-12(17)7-11(14-16)8-15(2)13(18)19/h9-10H,3-8H2,1-2H3,(H,18,19).
What are the key properties of [1-(1-cyclopentylethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid?
[1-(1-cyclopentylethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid has a molecular weight of 267.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-cyclopentylethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid is sourced from PubChem (CID 66665166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).