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

C10H17N3O2 — CID 13101187

IUPAC(1-propan-2-ylpyrazol-4-yl) N-propylcarbamate
SMILESCCCNC(=O)Oc1cnn(C(C)C)c1
InChIInChI=1S/C10H17N3O2/c1-4-5-11-10(14)15-9-6-12-13(7-9)8(2)3/h6-8H,4-5H2,1-3H3,(H,11,14)
InChIKeyUAWYPXOOEDXIQW-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.96
Rot. Bonds4

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

(1-propan-2-ylpyrazol-4-yl) N-propylcarbamate (PubChem CID 13101187) 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-propylcarbamate.

Molecular Properties

Compound Name(1-propan-2-ylpyrazol-4-yl) N-propylcarbamate
PubChem CID13101187
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name(1-propan-2-ylpyrazol-4-yl) N-propylcarbamate
SMILESCCCNC(=O)Oc1cnn(C(C)C)c1
InChIInChI=1S/C10H17N3O2/c1-4-5-11-10(14)15-9-6-12-13(7-9)8(2)3/h6-8H,4-5H2,1-3H3,(H,11,14)
InChIKeyUAWYPXOOEDXIQW-UHFFFAOYSA-N
XLogP1.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-propylcarbamate?
The IUPAC name of (1-propan-2-ylpyrazol-4-yl) N-propylcarbamate (CID 13101187) is (1-propan-2-ylpyrazol-4-yl) N-propylcarbamate.
What is the SMILES notation for (1-propan-2-ylpyrazol-4-yl) N-propylcarbamate?
The canonical SMILES for (1-propan-2-ylpyrazol-4-yl) N-propylcarbamate is CCCNC(=O)Oc1cnn(C(C)C)c1.
What is the InChIKey of (1-propan-2-ylpyrazol-4-yl) N-propylcarbamate?
The InChIKey is UAWYPXOOEDXIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-5-11-10(14)15-9-6-12-13(7-9)8(2)3/h6-8H,4-5H2,1-3H3,(H,11,14).
What are the key properties of (1-propan-2-ylpyrazol-4-yl) N-propylcarbamate?
(1-propan-2-ylpyrazol-4-yl) N-propylcarbamate has a molecular weight of 211.26 g/mol, XLogP of 1.96, 4 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-propylcarbamate is sourced from PubChem (CID 13101187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).