(1-propan-2-ylpyrazol-4-yl) N-propan-2-ylcarbamate

C10H17N3O2 — CID 13101189

IUPAC(1-propan-2-ylpyrazol-4-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1cnn(C(C)C)c1
InChIInChI=1S/C10H17N3O2/c1-7(2)12-10(14)15-9-5-11-13(6-9)8(3)4/h5-8H,1-4H3,(H,12,14)
InChIKeyOXGUWIIDPMXHBR-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.96
Rot. Bonds3

About (1-propan-2-ylpyrazol-4-yl) N-propan-2-ylcarbamate

(1-propan-2-ylpyrazol-4-yl) N-propan-2-ylcarbamate (PubChem CID 13101189) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is (1-propan-2-ylpyrazol-4-yl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(1-propan-2-ylpyrazol-4-yl) N-propan-2-ylcarbamate
PubChem CID13101189
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name(1-propan-2-ylpyrazol-4-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1cnn(C(C)C)c1
InChIInChI=1S/C10H17N3O2/c1-7(2)12-10(14)15-9-5-11-13(6-9)8(3)4/h5-8H,1-4H3,(H,12,14)
InChIKeyOXGUWIIDPMXHBR-UHFFFAOYSA-N
XLogP1.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylpyrazol-4-yl) N-propan-2-ylcarbamate?
The IUPAC name of (1-propan-2-ylpyrazol-4-yl) N-propan-2-ylcarbamate (CID 13101189) is (1-propan-2-ylpyrazol-4-yl) N-propan-2-ylcarbamate.
What is the SMILES notation for (1-propan-2-ylpyrazol-4-yl) N-propan-2-ylcarbamate?
The canonical SMILES for (1-propan-2-ylpyrazol-4-yl) N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1cnn(C(C)C)c1.
What is the InChIKey of (1-propan-2-ylpyrazol-4-yl) N-propan-2-ylcarbamate?
The InChIKey is OXGUWIIDPMXHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)12-10(14)15-9-5-11-13(6-9)8(3)4/h5-8H,1-4H3,(H,12,14).
What are the key properties of (1-propan-2-ylpyrazol-4-yl) N-propan-2-ylcarbamate?
(1-propan-2-ylpyrazol-4-yl) N-propan-2-ylcarbamate has a molecular weight of 211.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpyrazol-4-yl) N-propan-2-ylcarbamate is sourced from PubChem (CID 13101189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).