N-(1-benzylpyrazol-3-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide

C20H23N3OS — CID 126421675

IUPACN-(1-benzylpyrazol-3-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide
SMILESCc1cc(CCCC(=O)Nc2ccn(Cc3ccccc3)n2)c(C)s1
InChIInChI=1S/C20H23N3OS/c1-15-13-18(16(2)25-15)9-6-10-20(24)21-19-11-12-23(22-19)14-17-7-4-3-5-8-17/h3-5,7-8,11-13H,6,9-10,14H2,1-2H3,(H,21,22,24)
InChIKeyZFHRHIJVMSERDC-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.57
Rot. Bonds7

About N-(1-benzylpyrazol-3-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide

N-(1-benzylpyrazol-3-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide (PubChem CID 126421675) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide
PubChem CID126421675
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN-(1-benzylpyrazol-3-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide
SMILESCc1cc(CCCC(=O)Nc2ccn(Cc3ccccc3)n2)c(C)s1
InChIInChI=1S/C20H23N3OS/c1-15-13-18(16(2)25-15)9-6-10-20(24)21-19-11-12-23(22-19)14-17-7-4-3-5-8-17/h3-5,7-8,11-13H,6,9-10,14H2,1-2H3,(H,21,22,24)
InChIKeyZFHRHIJVMSERDC-UHFFFAOYSA-N
XLogP4.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-indol-3-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]butanamide
CID 19284482
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19283649
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19403070
N,N'-bis(1-benzylpyrazol-3-yl)-3-methylhexanediamide
CID 112837683
4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide
CID 51101514
N-(1-benzylpyrazol-3-yl)-3-(5-ethylfuran-2-yl)propanamide
CID 126420955
N-(1-benzylpyrazol-3-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19286226
methyl 2-[(1-benzylpyrazol-3-yl)carbamothioylamino]-5-methylthiophene-3-carboxylate
CID 5193072
N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47066196
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
N-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide
CID 4773521
4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871291

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide (CID 126421675) is N-(1-benzylpyrazol-3-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide is Cc1cc(CCCC(=O)Nc2ccn(Cc3ccccc3)n2)c(C)s1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide?
The InChIKey is ZFHRHIJVMSERDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-15-13-18(16(2)25-15)9-6-10-20(24)21-19-11-12-23(22-19)14-17-7-4-3-5-8-17/h3-5,7-8,11-13H,6,9-10,14H2,1-2H3,(H,21,22,24).
What are the key properties of N-(1-benzylpyrazol-3-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide?
N-(1-benzylpyrazol-3-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide has a molecular weight of 353.49 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide is sourced from PubChem (CID 126421675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).