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

C10H15N3O3 — CID 66665121

IUPAC[1-(cyclopropylmethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid
SMILESCN(CC1=NN(CC2CC2)C(=O)C1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-12(10(15)16)6-8-4-9(14)13(11-8)5-7-2-3-7/h7H,2-6H2,1H3,(H,15,16)
InChIKeyWCNBQNCDAQAOGX-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.59
Rot. Bonds4

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

[1-(cyclopropylmethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid (PubChem CID 66665121) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid
PubChem CID66665121
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name[1-(cyclopropylmethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid
SMILESCN(CC1=NN(CC2CC2)C(=O)C1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-12(10(15)16)6-8-4-9(14)13(11-8)5-7-2-3-7/h7H,2-6H2,1H3,(H,15,16)
InChIKeyWCNBQNCDAQAOGX-UHFFFAOYSA-N
XLogP0.59
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid?
The IUPAC name of [1-(cyclopropylmethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid (CID 66665121) is [1-(cyclopropylmethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid.
What is the SMILES notation for [1-(cyclopropylmethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid?
The canonical SMILES for [1-(cyclopropylmethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid is CN(CC1=NN(CC2CC2)C(=O)C1)C(=O)O.
What is the InChIKey of [1-(cyclopropylmethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid?
The InChIKey is WCNBQNCDAQAOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-12(10(15)16)6-8-4-9(14)13(11-8)5-7-2-3-7/h7H,2-6H2,1H3,(H,15,16).
What are the key properties of [1-(cyclopropylmethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid?
[1-(cyclopropylmethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid has a molecular weight of 225.25 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-5-oxo-4H-pyrazol-3-yl]methyl-methylcarbamic acid is sourced from PubChem (CID 66665121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).