1-(2-methylpyrazol-3-yl)ethylcarbamic acid

C7H11N3O2 — CID 123501854

IUPAC1-(2-methylpyrazol-3-yl)ethylcarbamic acid
SMILESCC(NC(=O)O)c1ccnn1C
InChIInChI=1S/C7H11N3O2/c1-5(9-7(11)12)6-3-4-8-10(6)2/h3-5,9H,1-2H3,(H,11,12)
InChIKeyIBCSDPPVNBFVLC-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.75
Rot. Bonds2

About 1-(2-methylpyrazol-3-yl)ethylcarbamic acid

1-(2-methylpyrazol-3-yl)ethylcarbamic acid (PubChem CID 123501854) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)ethylcarbamic acid.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)ethylcarbamic acid
PubChem CID123501854
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name1-(2-methylpyrazol-3-yl)ethylcarbamic acid
SMILESCC(NC(=O)O)c1ccnn1C
InChIInChI=1S/C7H11N3O2/c1-5(9-7(11)12)6-3-4-8-10(6)2/h3-5,9H,1-2H3,(H,11,12)
InChIKeyIBCSDPPVNBFVLC-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)ethylcarbamic acid?
The IUPAC name of 1-(2-methylpyrazol-3-yl)ethylcarbamic acid (CID 123501854) is 1-(2-methylpyrazol-3-yl)ethylcarbamic acid.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)ethylcarbamic acid?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)ethylcarbamic acid is CC(NC(=O)O)c1ccnn1C.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)ethylcarbamic acid?
The InChIKey is IBCSDPPVNBFVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5(9-7(11)12)6-3-4-8-10(6)2/h3-5,9H,1-2H3,(H,11,12).
What are the key properties of 1-(2-methylpyrazol-3-yl)ethylcarbamic acid?
1-(2-methylpyrazol-3-yl)ethylcarbamic acid has a molecular weight of 169.18 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)ethylcarbamic acid is sourced from PubChem (CID 123501854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).