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

C8H13N3O3 — CID 68570486

IUPAC[1-(2-methoxyethyl)pyrazol-4-yl]methylcarbamic acid
SMILESCOCCn1cc(CNC(=O)O)cn1
InChIInChI=1S/C8H13N3O3/c1-14-3-2-11-6-7(5-10-11)4-9-8(12)13/h5-6,9H,2-4H2,1H3,(H,12,13)
InChIKeyKFOCIXOWVAFGKH-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.30
Rot. Bonds5

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

[1-(2-methoxyethyl)pyrazol-4-yl]methylcarbamic acid (PubChem CID 68570486) 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 CID68570486
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name[1-(2-methoxyethyl)pyrazol-4-yl]methylcarbamic acid
SMILESCOCCn1cc(CNC(=O)O)cn1
InChIInChI=1S/C8H13N3O3/c1-14-3-2-11-6-7(5-10-11)4-9-8(12)13/h5-6,9H,2-4H2,1H3,(H,12,13)
InChIKeyKFOCIXOWVAFGKH-UHFFFAOYSA-N
XLogP0.30
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.30
H-Bond Donors ≤ 52
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 68570486) 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(CNC(=O)O)cn1.
What is the InChIKey of [1-(2-methoxyethyl)pyrazol-4-yl]methylcarbamic acid?
The InChIKey is KFOCIXOWVAFGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-14-3-2-11-6-7(5-10-11)4-9-8(12)13/h5-6,9H,2-4H2,1H3,(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 0.30, 5 rotatable bonds, 2 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 68570486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).