methyl-[[1-(2-methylpropyl)-5-oxo-4H-pyrazol-3-yl]methyl]carbamic acid

C10H17N3O3 — CID 66665211

IUPACmethyl-[[1-(2-methylpropyl)-5-oxo-4H-pyrazol-3-yl]methyl]carbamic acid
SMILESCC(C)CN1N=C(CN(C)C(=O)O)CC1=O
InChIInChI=1S/C10H17N3O3/c1-7(2)5-13-9(14)4-8(11-13)6-12(3)10(15)16/h7H,4-6H2,1-3H3,(H,15,16)
InChIKeyQPWAWZPZRJPJFS-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.84
Rot. Bonds4

About methyl-[[1-(2-methylpropyl)-5-oxo-4H-pyrazol-3-yl]methyl]carbamic acid

methyl-[[1-(2-methylpropyl)-5-oxo-4H-pyrazol-3-yl]methyl]carbamic acid (PubChem CID 66665211) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl-[[1-(2-methylpropyl)-5-oxo-4H-pyrazol-3-yl]methyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[[1-(2-methylpropyl)-5-oxo-4H-pyrazol-3-yl]methyl]carbamic acid
PubChem CID66665211
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Namemethyl-[[1-(2-methylpropyl)-5-oxo-4H-pyrazol-3-yl]methyl]carbamic acid
SMILESCC(C)CN1N=C(CN(C)C(=O)O)CC1=O
InChIInChI=1S/C10H17N3O3/c1-7(2)5-13-9(14)4-8(11-13)6-12(3)10(15)16/h7H,4-6H2,1-3H3,(H,15,16)
InChIKeyQPWAWZPZRJPJFS-UHFFFAOYSA-N
XLogP0.84
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl-[[1-(2-methylpropyl)-5-oxo-4H-pyrazol-3-yl]methyl]carbamic acid?
The IUPAC name of methyl-[[1-(2-methylpropyl)-5-oxo-4H-pyrazol-3-yl]methyl]carbamic acid (CID 66665211) is methyl-[[1-(2-methylpropyl)-5-oxo-4H-pyrazol-3-yl]methyl]carbamic acid.
What is the SMILES notation for methyl-[[1-(2-methylpropyl)-5-oxo-4H-pyrazol-3-yl]methyl]carbamic acid?
The canonical SMILES for methyl-[[1-(2-methylpropyl)-5-oxo-4H-pyrazol-3-yl]methyl]carbamic acid is CC(C)CN1N=C(CN(C)C(=O)O)CC1=O.
What is the InChIKey of methyl-[[1-(2-methylpropyl)-5-oxo-4H-pyrazol-3-yl]methyl]carbamic acid?
The InChIKey is QPWAWZPZRJPJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(2)5-13-9(14)4-8(11-13)6-12(3)10(15)16/h7H,4-6H2,1-3H3,(H,15,16).
What are the key properties of methyl-[[1-(2-methylpropyl)-5-oxo-4H-pyrazol-3-yl]methyl]carbamic acid?
methyl-[[1-(2-methylpropyl)-5-oxo-4H-pyrazol-3-yl]methyl]carbamic acid has a molecular weight of 227.26 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[1-(2-methylpropyl)-5-oxo-4H-pyrazol-3-yl]methyl]carbamic acid is sourced from PubChem (CID 66665211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).