N-(4-amino-1,3-dimethylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide

C11H14N4O2S — CID 81117489

IUPACN-(4-amino-1,3-dimethylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)Nc2c(N)c(C)nn2C)c1
InChIInChI=1S/C11H14N4O2S/c1-6-9(12)10(15(2)14-6)13-11(16)8-4-7(17-3)5-18-8/h4-5H,12H2,1-3H3,(H,13,16)
InChIKeyBJVCVNRHPXSUMB-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.63
Rot. Bonds3

About N-(4-amino-1,3-dimethylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide

N-(4-amino-1,3-dimethylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide (PubChem CID 81117489) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-(4-amino-1,3-dimethylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1,3-dimethylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide
PubChem CID81117489
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-(4-amino-1,3-dimethylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)Nc2c(N)c(C)nn2C)c1
InChIInChI=1S/C11H14N4O2S/c1-6-9(12)10(15(2)14-6)13-11(16)8-4-7(17-3)5-18-8/h4-5H,12H2,1-3H3,(H,13,16)
InChIKeyBJVCVNRHPXSUMB-UHFFFAOYSA-N
XLogP1.63
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide (CID 81117489) is N-(4-amino-1,3-dimethylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(4-amino-1,3-dimethylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(4-amino-1,3-dimethylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)Nc2c(N)c(C)nn2C)c1.
What is the InChIKey of N-(4-amino-1,3-dimethylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide?
The InChIKey is BJVCVNRHPXSUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-6-9(12)10(15(2)14-6)13-11(16)8-4-7(17-3)5-18-8/h4-5H,12H2,1-3H3,(H,13,16).
What are the key properties of N-(4-amino-1,3-dimethylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide?
N-(4-amino-1,3-dimethylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide has a molecular weight of 266.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,3-dimethylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 81117489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).