(2,5-dimethylpyrazol-3-yl) N,N-dimethylcarbamate

C8H13N3O2 — CID 14551344

IUPAC(2,5-dimethylpyrazol-3-yl) N,N-dimethylcarbamate
SMILESCc1cc(OC(=O)N(C)C)n(C)n1
InChIInChI=1S/C8H13N3O2/c1-6-5-7(11(4)9-6)13-8(12)10(2)3/h5H,1-4H3
InChIKeyRFTLBBSGUPHABA-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.79
Rot. Bonds1

About (2,5-dimethylpyrazol-3-yl) N,N-dimethylcarbamate

(2,5-dimethylpyrazol-3-yl) N,N-dimethylcarbamate (PubChem CID 14551344) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl) N,N-dimethylcarbamate
PubChem CID14551344
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name(2,5-dimethylpyrazol-3-yl) N,N-dimethylcarbamate
SMILESCc1cc(OC(=O)N(C)C)n(C)n1
InChIInChI=1S/C8H13N3O2/c1-6-5-7(11(4)9-6)13-8(12)10(2)3/h5H,1-4H3
InChIKeyRFTLBBSGUPHABA-UHFFFAOYSA-N
XLogP0.79
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl) N,N-dimethylcarbamate?
The IUPAC name of (2,5-dimethylpyrazol-3-yl) N,N-dimethylcarbamate (CID 14551344) is (2,5-dimethylpyrazol-3-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl) N,N-dimethylcarbamate?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl) N,N-dimethylcarbamate is Cc1cc(OC(=O)N(C)C)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl) N,N-dimethylcarbamate?
The InChIKey is RFTLBBSGUPHABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6-5-7(11(4)9-6)13-8(12)10(2)3/h5H,1-4H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl) N,N-dimethylcarbamate?
(2,5-dimethylpyrazol-3-yl) N,N-dimethylcarbamate has a molecular weight of 183.21 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 14551344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).