(1-methylpyrazol-3-yl) N-tert-butylcarbamate

C9H15N3O2 — CID 174836806

IUPAC(1-methylpyrazol-3-yl) N-tert-butylcarbamate
SMILESCn1ccc(OC(=O)NC(C)(C)C)n1
InChIInChI=1S/C9H15N3O2/c1-9(2,3)10-8(13)14-7-5-6-12(4)11-7/h5-6H,1-4H3,(H,10,13)
InChIKeySFDJHMMIFIFWQP-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.31
Rot. Bonds1

About (1-methylpyrazol-3-yl) N-tert-butylcarbamate

(1-methylpyrazol-3-yl) N-tert-butylcarbamate (PubChem CID 174836806) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl) N-tert-butylcarbamate
PubChem CID174836806
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(1-methylpyrazol-3-yl) N-tert-butylcarbamate
SMILESCn1ccc(OC(=O)NC(C)(C)C)n1
InChIInChI=1S/C9H15N3O2/c1-9(2,3)10-8(13)14-7-5-6-12(4)11-7/h5-6H,1-4H3,(H,10,13)
InChIKeySFDJHMMIFIFWQP-UHFFFAOYSA-N
XLogP1.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl) N-tert-butylcarbamate?
The IUPAC name of (1-methylpyrazol-3-yl) N-tert-butylcarbamate (CID 174836806) is (1-methylpyrazol-3-yl) N-tert-butylcarbamate.
What is the SMILES notation for (1-methylpyrazol-3-yl) N-tert-butylcarbamate?
The canonical SMILES for (1-methylpyrazol-3-yl) N-tert-butylcarbamate is Cn1ccc(OC(=O)NC(C)(C)C)n1.
What is the InChIKey of (1-methylpyrazol-3-yl) N-tert-butylcarbamate?
The InChIKey is SFDJHMMIFIFWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,3)10-8(13)14-7-5-6-12(4)11-7/h5-6H,1-4H3,(H,10,13).
What are the key properties of (1-methylpyrazol-3-yl) N-tert-butylcarbamate?
(1-methylpyrazol-3-yl) N-tert-butylcarbamate has a molecular weight of 197.24 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl) N-tert-butylcarbamate is sourced from PubChem (CID 174836806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).