4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide

C16H16N4OS — CID 90555587

IUPAC4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2cc(-c3ccccn3)n(C)n2)c1
InChIInChI=1S/C16H16N4OS/c1-11-7-15(22-10-11)16(21)18-9-12-8-14(20(2)19-12)13-5-3-4-6-17-13/h3-8,10H,9H2,1-2H3,(H,18,21)
InChIKeyNLLYRZVSQOGJCA-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.78
Rot. Bonds4

About 4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide

4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 90555587) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide
PubChem CID90555587
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2cc(-c3ccccn3)n(C)n2)c1
InChIInChI=1S/C16H16N4OS/c1-11-7-15(22-10-11)16(21)18-9-12-8-14(20(2)19-12)13-5-3-4-6-17-13/h3-8,10H,9H2,1-2H3,(H,18,21)
InChIKeyNLLYRZVSQOGJCA-UHFFFAOYSA-N
XLogP2.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide
CID 71797381
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-phenylbenzamide
CID 90555675
1-ethyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90555819
4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 90588269
1-benzyl-3-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]urea
CID 90555827
1-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea
CID 90555843
2-benzylsulfanyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide
CID 71797633
2-(2,4-dichlorophenoxy)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide
CID 71797643
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71797639
4-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide
CID 121020097
3-(4-methoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide
CID 90555638
2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555807

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide (CID 90555587) is 4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide is Cc1csc(C(=O)NCc2cc(-c3ccccn3)n(C)n2)c1.
What is the InChIKey of 4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is NLLYRZVSQOGJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-11-7-15(22-10-11)16(21)18-9-12-8-14(20(2)19-12)13-5-3-4-6-17-13/h3-8,10H,9H2,1-2H3,(H,18,21).
What are the key properties of 4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 90555587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).