5-chloro-N-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethyl]thiophene-2-carboxamide

C16H16ClN3O2S — CID 122244688

IUPAC5-chloro-N-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethyl]thiophene-2-carboxamide
SMILESCc1nn(CCNC(=O)c2ccc(Cl)s2)c(C)c1-c1ccco1
InChIInChI=1S/C16H16ClN3O2S/c1-10-15(12-4-3-9-22-12)11(2)20(19-10)8-7-18-16(21)13-5-6-14(17)23-13/h3-6,9H,7-8H2,1-2H3,(H,18,21)
InChIKeyMEGCHCWXXCSVRM-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.90
Rot. Bonds5

About 5-chloro-N-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethyl]thiophene-2-carboxamide

5-chloro-N-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethyl]thiophene-2-carboxamide (PubChem CID 122244688) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is 5-chloro-N-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethyl]thiophene-2-carboxamide
PubChem CID122244688
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC Name5-chloro-N-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethyl]thiophene-2-carboxamide
SMILESCc1nn(CCNC(=O)c2ccc(Cl)s2)c(C)c1-c1ccco1
InChIInChI=1S/C16H16ClN3O2S/c1-10-15(12-4-3-9-22-12)11(2)20(19-10)8-7-18-16(21)13-5-6-14(17)23-13/h3-6,9H,7-8H2,1-2H3,(H,18,21)
InChIKeyMEGCHCWXXCSVRM-UHFFFAOYSA-N
XLogP3.90
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzylsulfanyl-N-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethyl]acetamide
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ethyl 4-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethylamino]-4-oxobutanoate
CID 122244712
5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide
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5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-carboxamide
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CID 8943603
5-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiophene-2-carboxamide
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5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-carboxamide
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5-chloro-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 25237516
N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-methylbenzamide
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5-chloro-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-carboxamide
CID 121033838
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19491036
5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide
CID 91888242

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethyl]thiophene-2-carboxamide (CID 122244688) is 5-chloro-N-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethyl]thiophene-2-carboxamide is Cc1nn(CCNC(=O)c2ccc(Cl)s2)c(C)c1-c1ccco1.
What is the InChIKey of 5-chloro-N-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is MEGCHCWXXCSVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c1-10-15(12-4-3-9-22-12)11(2)20(19-10)8-7-18-16(21)13-5-6-14(17)23-13/h3-6,9H,7-8H2,1-2H3,(H,18,21).
What are the key properties of 5-chloro-N-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethyl]thiophene-2-carboxamide?
5-chloro-N-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 349.84 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 122244688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).