(5-methyl-2-phenylpyrazol-3-yl) N,N-dimethylcarbamate

C13H15N3O2 — CID 6888

IUPAC(5-methyl-2-phenylpyrazol-3-yl) N,N-dimethylcarbamate
SMILESCc1cc(OC(=O)N(C)C)n(-c2ccccc2)n1
InChIInChI=1S/C13H15N3O2/c1-10-9-12(18-13(17)15(2)3)16(14-10)11-7-5-4-6-8-11/h4-9H,1-3H3
InChIKeyGEDIWDLJKRKBFT-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.24
Rot. Bonds2

About (5-methyl-2-phenylpyrazol-3-yl) N,N-dimethylcarbamate

(5-methyl-2-phenylpyrazol-3-yl) N,N-dimethylcarbamate (PubChem CID 6888) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (5-methyl-2-phenylpyrazol-3-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(5-methyl-2-phenylpyrazol-3-yl) N,N-dimethylcarbamate
PubChem CID6888
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(5-methyl-2-phenylpyrazol-3-yl) N,N-dimethylcarbamate
SMILESCc1cc(OC(=O)N(C)C)n(-c2ccccc2)n1
InChIInChI=1S/C13H15N3O2/c1-10-9-12(18-13(17)15(2)3)16(14-10)11-7-5-4-6-8-11/h4-9H,1-3H3
InChIKeyGEDIWDLJKRKBFT-UHFFFAOYSA-N
XLogP2.24
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenylpyrazol-3-yl) N,N-dimethylcarbamate?
The IUPAC name of (5-methyl-2-phenylpyrazol-3-yl) N,N-dimethylcarbamate (CID 6888) is (5-methyl-2-phenylpyrazol-3-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (5-methyl-2-phenylpyrazol-3-yl) N,N-dimethylcarbamate?
The canonical SMILES for (5-methyl-2-phenylpyrazol-3-yl) N,N-dimethylcarbamate is Cc1cc(OC(=O)N(C)C)n(-c2ccccc2)n1.
What is the InChIKey of (5-methyl-2-phenylpyrazol-3-yl) N,N-dimethylcarbamate?
The InChIKey is GEDIWDLJKRKBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10-9-12(18-13(17)15(2)3)16(14-10)11-7-5-4-6-8-11/h4-9H,1-3H3.
What are the key properties of (5-methyl-2-phenylpyrazol-3-yl) N,N-dimethylcarbamate?
(5-methyl-2-phenylpyrazol-3-yl) N,N-dimethylcarbamate has a molecular weight of 245.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenylpyrazol-3-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 6888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).