[1-(2-methoxyethyl)pyrazol-4-yl]-methylcarbamic acid

C8H13N3O3 — CID 68570488

IUPAC[1-(2-methoxyethyl)pyrazol-4-yl]-methylcarbamic acid
SMILESCOCCn1cc(N(C)C(=O)O)cn1
InChIInChI=1S/C8H13N3O3/c1-10(8(12)13)7-5-9-11(6-7)3-4-14-2/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyGXQZZAVBQSICGB-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.64
Rot. Bonds4

About [1-(2-methoxyethyl)pyrazol-4-yl]-methylcarbamic acid

[1-(2-methoxyethyl)pyrazol-4-yl]-methylcarbamic acid (PubChem CID 68570488) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is [1-(2-methoxyethyl)pyrazol-4-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-(2-methoxyethyl)pyrazol-4-yl]-methylcarbamic acid
PubChem CID68570488
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name[1-(2-methoxyethyl)pyrazol-4-yl]-methylcarbamic acid
SMILESCOCCn1cc(N(C)C(=O)O)cn1
InChIInChI=1S/C8H13N3O3/c1-10(8(12)13)7-5-9-11(6-7)3-4-14-2/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyGXQZZAVBQSICGB-UHFFFAOYSA-N
XLogP0.64
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)pyrazol-4-yl]-methylcarbamic acid?
The IUPAC name of [1-(2-methoxyethyl)pyrazol-4-yl]-methylcarbamic acid (CID 68570488) is [1-(2-methoxyethyl)pyrazol-4-yl]-methylcarbamic acid.
What is the SMILES notation for [1-(2-methoxyethyl)pyrazol-4-yl]-methylcarbamic acid?
The canonical SMILES for [1-(2-methoxyethyl)pyrazol-4-yl]-methylcarbamic acid is COCCn1cc(N(C)C(=O)O)cn1.
What is the InChIKey of [1-(2-methoxyethyl)pyrazol-4-yl]-methylcarbamic acid?
The InChIKey is GXQZZAVBQSICGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-10(8(12)13)7-5-9-11(6-7)3-4-14-2/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of [1-(2-methoxyethyl)pyrazol-4-yl]-methylcarbamic acid?
[1-(2-methoxyethyl)pyrazol-4-yl]-methylcarbamic acid has a molecular weight of 199.21 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)pyrazol-4-yl]-methylcarbamic acid is sourced from PubChem (CID 68570488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).