(1,5-dimethylpyrazol-3-yl)methylcarbamic acid

C7H11N3O2 — CID 58787587

IUPAC(1,5-dimethylpyrazol-3-yl)methylcarbamic acid
SMILESCc1cc(CNC(=O)O)nn1C
InChIInChI=1S/C7H11N3O2/c1-5-3-6(9-10(5)2)4-8-7(11)12/h3,8H,4H2,1-2H3,(H,11,12)
InChIKeyMWUUZUVBSCMCIL-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.50
Rot. Bonds2

About (1,5-dimethylpyrazol-3-yl)methylcarbamic acid

(1,5-dimethylpyrazol-3-yl)methylcarbamic acid (PubChem CID 58787587) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)methylcarbamic acid.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)methylcarbamic acid
PubChem CID58787587
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name(1,5-dimethylpyrazol-3-yl)methylcarbamic acid
SMILESCc1cc(CNC(=O)O)nn1C
InChIInChI=1S/C7H11N3O2/c1-5-3-6(9-10(5)2)4-8-7(11)12/h3,8H,4H2,1-2H3,(H,11,12)
InChIKeyMWUUZUVBSCMCIL-UHFFFAOYSA-N
XLogP0.50
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)methylcarbamic acid?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)methylcarbamic acid (CID 58787587) is (1,5-dimethylpyrazol-3-yl)methylcarbamic acid.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)methylcarbamic acid?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)methylcarbamic acid is Cc1cc(CNC(=O)O)nn1C.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)methylcarbamic acid?
The InChIKey is MWUUZUVBSCMCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5-3-6(9-10(5)2)4-8-7(11)12/h3,8H,4H2,1-2H3,(H,11,12).
What are the key properties of (1,5-dimethylpyrazol-3-yl)methylcarbamic acid?
(1,5-dimethylpyrazol-3-yl)methylcarbamic acid has a molecular weight of 169.18 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)methylcarbamic acid is sourced from PubChem (CID 58787587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).