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

C16H16N4OS — CID 121020097

IUPAC4-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2cc(-c3cccnc3)nn2C)c1
InChIInChI=1S/C16H16N4OS/c1-11-6-15(22-10-11)16(21)18-9-13-7-14(19-20(13)2)12-4-3-5-17-8-12/h3-8,10H,9H2,1-2H3,(H,18,21)
InChIKeyANLWIQTWKFAYCV-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.78
Rot. Bonds4

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

4-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide (PubChem CID 121020097) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 4-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide
PubChem CID121020097
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name4-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2cc(-c3cccnc3)nn2C)c1
InChIInChI=1S/C16H16N4OS/c1-11-6-15(22-10-11)16(21)18-9-13-7-14(19-20(13)2)12-4-3-5-17-8-12/h3-8,10H,9H2,1-2H3,(H,18,21)
InChIKeyANLWIQTWKFAYCV-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

1-(2,6-difluorophenyl)-3-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]urea
CID 119102906
3-(2-methylphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide
CID 171130635
4-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide
CID 90555587
(E)-3-(2-fluorophenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide
CID 119102901
4-methyl-N-[2-(triazol-2-yl)ethyl]thiophene-2-carboxamide
CID 121177066
4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide
CID 71797381
4-fluoro-2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]benzenesulfonamide
CID 119102922
1-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 121020005
1-methyl-N-[(1R,2R)-2-methylcyclopropyl]-3-pyridin-3-ylpyrazole-5-carboxamide
CID 138029000
4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 6503109
N-[(2-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110647947
3-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758604

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide (CID 121020097) is 4-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide is Cc1csc(C(=O)NCc2cc(-c3cccnc3)nn2C)c1.
What is the InChIKey of 4-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide?
The InChIKey is ANLWIQTWKFAYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-11-6-15(22-10-11)16(21)18-9-13-7-14(19-20(13)2)12-4-3-5-17-8-12/h3-8,10H,9H2,1-2H3,(H,18,21).
What are the key properties of 4-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide?
4-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-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-3-pyridin-3-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 121020097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).