N-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide

C26H26N4O2S — CID 35739105

IUPACN-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1N(C)C(=O)c1cccs1
InChIInChI=1S/C26H26N4O2S/c1-18-22(19(2)30(28-18)17-20-10-5-4-6-11-20)16-27-25(31)21-12-7-8-13-23(21)29(3)26(32)24-14-9-15-33-24/h4-15H,16-17H2,1-3H3,(H,27,31)
InChIKeyPJMOCRVSHFHZSR-UHFFFAOYSA-N
MW458.59 g/mol
LogP4.82
Rot. Bonds7

About N-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide

N-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide (PubChem CID 35739105) has the molecular formula C26H26N4O2S and a molecular weight of 458.59 g/mol. Its IUPAC name is N-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide
PubChem CID35739105
Molecular FormulaC26H26N4O2S
Molecular Weight458.59 g/mol
Exact Mass458.18
IUPAC NameN-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1N(C)C(=O)c1cccs1
InChIInChI=1S/C26H26N4O2S/c1-18-22(19(2)30(28-18)17-20-10-5-4-6-11-20)16-27-25(31)21-12-7-8-13-23(21)29(3)26(32)24-14-9-15-33-24/h4-15H,16-17H2,1-3H3,(H,27,31)
InChIKeyPJMOCRVSHFHZSR-UHFFFAOYSA-N
XLogP4.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 8943704
N-[3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 18532508
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide
CID 17393796
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 8943603
1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 34463265
N-methyl-N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 36543876
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111260305
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 24532851
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-nitrobenzamide
CID 17499102
N-[3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]-2-methylbenzamide
CID 8944660
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-tert-butylbenzamide
CID 8943315
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 43019372

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide (CID 35739105) is N-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1N(C)C(=O)c1cccs1.
What is the InChIKey of N-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide?
The InChIKey is PJMOCRVSHFHZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2S/c1-18-22(19(2)30(28-18)17-20-10-5-4-6-11-20)16-27-25(31)21-12-7-8-13-23(21)29(3)26(32)24-14-9-15-33-24/h4-15H,16-17H2,1-3H3,(H,27,31).
What are the key properties of N-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide?
N-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide has a molecular weight of 458.59 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]phenyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 35739105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).