2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide

C11H13N3OS — CID 32605378

IUPAC2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(C)c2)c(C)s1
InChIInChI=1S/C11H13N3OS/c1-7-4-10(8(2)16-7)11(15)13-9-5-12-14(3)6-9/h4-6H,1-3H3,(H,13,15)
InChIKeySHMAPUDVDPTTET-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.35
Rot. Bonds2

About 2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide

2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide (PubChem CID 32605378) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
PubChem CID32605378
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(C)c2)c(C)s1
InChIInChI=1S/C11H13N3OS/c1-7-4-10(8(2)16-7)11(15)13-9-5-12-14(3)6-9/h4-6H,1-3H3,(H,13,15)
InChIKeySHMAPUDVDPTTET-UHFFFAOYSA-N
XLogP2.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 58464949
2-methyl-4-(methylamino)-N-(1-methylpyrazol-4-yl)benzamide
CID 113400170
5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
CID 118432853
4-hydrazinyl-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 81256149
5-amino-2,3-dichloro-N-(1-methylpyrazol-4-yl)benzamide
CID 107183626
2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 103891962
2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 32605512
2,3-dimethyl-N-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide
CID 32609242
5-fluoro-2-(methylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 114034924
N-(1-methylpyrazol-4-yl)-1-benzothiophene-2-carboxamide
CID 32605407
5-amino-2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 62816464
6-methyl-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 43074255

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide (CID 32605378) is 2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide is Cc1cc(C(=O)Nc2cnn(C)c2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
The InChIKey is SHMAPUDVDPTTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-4-10(8(2)16-7)11(15)13-9-5-12-14(3)6-9/h4-6H,1-3H3,(H,13,15).
What are the key properties of 2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide?
2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 32605378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).