methyl 5-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]thiophene-2-carboxylate

C14H17N3O3S — CID 47027987

IUPACmethyl 5-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NC(C)c2cnn(C)c2C)s1
InChIInChI=1S/C14H17N3O3S/c1-8(10-7-15-17(3)9(10)2)16-13(18)11-5-6-12(21-11)14(19)20-4/h5-8H,1-4H3,(H,16,18)
InChIKeyRRKFVGSSXXSRKZ-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.07
Rot. Bonds4

About methyl 5-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]thiophene-2-carboxylate

methyl 5-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]thiophene-2-carboxylate (PubChem CID 47027987) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is methyl 5-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]thiophene-2-carboxylate
PubChem CID47027987
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Namemethyl 5-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NC(C)c2cnn(C)c2C)s1
InChIInChI=1S/C14H17N3O3S/c1-8(10-7-15-17(3)9(10)2)16-13(18)11-5-6-12(21-11)14(19)20-4/h5-8H,1-4H3,(H,16,18)
InChIKeyRRKFVGSSXXSRKZ-UHFFFAOYSA-N
XLogP2.07
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 47027951
4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119730438
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
CID 61214245
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide
CID 78985186
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylfuran-3-carboxamide
CID 43073935
5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzamide
CID 19469091
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutanamide
CID 113416098
6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 66462120
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 119293160
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide
CID 43696292
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2H-triazole-4-carboxamide
CID 112733384
5-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide
CID 47027992

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]thiophene-2-carboxylate (CID 47027987) is methyl 5-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)NC(C)c2cnn(C)c2C)s1.
What is the InChIKey of methyl 5-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]thiophene-2-carboxylate?
The InChIKey is RRKFVGSSXXSRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-8(10-7-15-17(3)9(10)2)16-13(18)11-5-6-12(21-11)14(19)20-4/h5-8H,1-4H3,(H,16,18).
What are the key properties of methyl 5-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]thiophene-2-carboxylate?
methyl 5-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]thiophene-2-carboxylate has a molecular weight of 307.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 47027987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).