2,5-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]thiophene-3-carboxamide

C14H17Cl2N3O2S — CID 47079521

IUPAC2,5-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]thiophene-3-carboxamide
SMILESCOCCn1nc(C)c(CNC(=O)c2cc(Cl)sc2Cl)c1C
InChIInChI=1S/C14H17Cl2N3O2S/c1-8-11(9(2)19(18-8)4-5-21-3)7-17-14(20)10-6-12(15)22-13(10)16/h6H,4-5,7H2,1-3H3,(H,17,20)
InChIKeyMZSYHTRKQIFNBA-UHFFFAOYSA-N
MW362.28 g/mol
LogP3.44
Rot. Bonds6

About 2,5-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]thiophene-3-carboxamide

2,5-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]thiophene-3-carboxamide (PubChem CID 47079521) has the molecular formula C14H17Cl2N3O2S and a molecular weight of 362.28 g/mol. Its IUPAC name is 2,5-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]thiophene-3-carboxamide
PubChem CID47079521
Molecular FormulaC14H17Cl2N3O2S
Molecular Weight362.28 g/mol
Exact Mass361.04
IUPAC Name2,5-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]thiophene-3-carboxamide
SMILESCOCCn1nc(C)c(CNC(=O)c2cc(Cl)sc2Cl)c1C
InChIInChI=1S/C14H17Cl2N3O2S/c1-8-11(9(2)19(18-8)4-5-21-3)7-17-14(20)10-6-12(15)22-13(10)16/h6H,4-5,7H2,1-3H3,(H,17,20)
InChIKeyMZSYHTRKQIFNBA-UHFFFAOYSA-N
XLogP3.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.28
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyridine-2-carboxamide
CID 86846936
2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide
CID 86930029
2,2-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropane-1-carboxamide
CID 86846937
4-(diethylamino)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide
CID 86850984
N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1H-indazole-7-carboxamide
CID 47079610
(E)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide
CID 48528185
2,4-dichloro-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide
CID 35524422
2,5-dichloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]thiophene-3-carboxamide
CID 31218102
methyl 1-[N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111253477
1-[(2R,6R)-2,6-dimethylcyclohexyl]-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]urea
CID 96569239
N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 48506880
3-(2,5-dihydropyrrol-1-yl)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrrolidine-1-carboxamide
CID 71868465

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]thiophene-3-carboxamide (CID 47079521) is 2,5-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]thiophene-3-carboxamide is COCCn1nc(C)c(CNC(=O)c2cc(Cl)sc2Cl)c1C.
What is the InChIKey of 2,5-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]thiophene-3-carboxamide?
The InChIKey is MZSYHTRKQIFNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2S/c1-8-11(9(2)19(18-8)4-5-21-3)7-17-14(20)10-6-12(15)22-13(10)16/h6H,4-5,7H2,1-3H3,(H,17,20).
What are the key properties of 2,5-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]thiophene-3-carboxamide?
2,5-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]thiophene-3-carboxamide has a molecular weight of 362.28 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 47079521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).