(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamic acid

C11H19N3O2 — CID 91237559

IUPAC(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamic acid
SMILESCC(C)n1nc(C(C)(C)C)cc1NC(=O)O
InChIInChI=1S/C11H19N3O2/c1-7(2)14-9(12-10(15)16)6-8(13-14)11(3,4)5/h6-7,12H,1-5H3,(H,15,16)
InChIKeyCGNFHMRQQAAMFD-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.85
Rot. Bonds2

About (3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamic acid

(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamic acid (PubChem CID 91237559) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamic acid.

Molecular Properties

Compound Name(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamic acid
PubChem CID91237559
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamic acid
SMILESCC(C)n1nc(C(C)(C)C)cc1NC(=O)O
InChIInChI=1S/C11H19N3O2/c1-7(2)14-9(12-10(15)16)6-8(13-14)11(3,4)5/h6-7,12H,1-5H3,(H,15,16)
InChIKeyCGNFHMRQQAAMFD-UHFFFAOYSA-N
XLogP2.85
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamic acid?
The IUPAC name of (3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamic acid (CID 91237559) is (3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamic acid.
What is the SMILES notation for (3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamic acid?
The canonical SMILES for (3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamic acid is CC(C)n1nc(C(C)(C)C)cc1NC(=O)O.
What is the InChIKey of (3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamic acid?
The InChIKey is CGNFHMRQQAAMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(2)14-9(12-10(15)16)6-8(13-14)11(3,4)5/h6-7,12H,1-5H3,(H,15,16).
What are the key properties of (3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamic acid?
(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamic acid has a molecular weight of 225.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamic acid is sourced from PubChem (CID 91237559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).