(1-methylpyrazol-4-yl)methylcarbamic acid

C6H9N3O2 — CID 89157733

IUPAC(1-methylpyrazol-4-yl)methylcarbamic acid
SMILESCn1cc(CNC(=O)O)cn1
InChIInChI=1S/C6H9N3O2/c1-9-4-5(3-8-9)2-7-6(10)11/h3-4,7H,2H2,1H3,(H,10,11)
InChIKeyQUAGSXAQARSCGA-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.19
Rot. Bonds2

About (1-methylpyrazol-4-yl)methylcarbamic acid

(1-methylpyrazol-4-yl)methylcarbamic acid (PubChem CID 89157733) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)methylcarbamic acid.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)methylcarbamic acid
PubChem CID89157733
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name(1-methylpyrazol-4-yl)methylcarbamic acid
SMILESCn1cc(CNC(=O)O)cn1
InChIInChI=1S/C6H9N3O2/c1-9-4-5(3-8-9)2-7-6(10)11/h3-4,7H,2H2,1H3,(H,10,11)
InChIKeyQUAGSXAQARSCGA-UHFFFAOYSA-N
XLogP0.19
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)methylcarbamic acid?
The IUPAC name of (1-methylpyrazol-4-yl)methylcarbamic acid (CID 89157733) is (1-methylpyrazol-4-yl)methylcarbamic acid.
What is the SMILES notation for (1-methylpyrazol-4-yl)methylcarbamic acid?
The canonical SMILES for (1-methylpyrazol-4-yl)methylcarbamic acid is Cn1cc(CNC(=O)O)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)methylcarbamic acid?
The InChIKey is QUAGSXAQARSCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-9-4-5(3-8-9)2-7-6(10)11/h3-4,7H,2H2,1H3,(H,10,11).
What are the key properties of (1-methylpyrazol-4-yl)methylcarbamic acid?
(1-methylpyrazol-4-yl)methylcarbamic acid has a molecular weight of 155.16 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)methylcarbamic acid is sourced from PubChem (CID 89157733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).