1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide

C27H26N4O2 — CID 78887495

IUPAC1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cnn1Cc1ccccc1
InChIInChI=1S/C27H26N4O2/c1-3-25-23(17-28-31(25)18-20-10-6-4-7-11-20)27(33)30-24-16-21(15-14-19(24)2)26(32)29-22-12-8-5-9-13-22/h4-17H,3,18H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyQBDOFPUGNAUKHL-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.31
Rot. Bonds7

About 1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide

1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide (PubChem CID 78887495) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide
PubChem CID78887495
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cnn1Cc1ccccc1
InChIInChI=1S/C27H26N4O2/c1-3-25-23(17-28-31(25)18-20-10-6-4-7-11-20)27(33)30-24-16-21(15-14-19(24)2)26(32)29-22-12-8-5-9-13-22/h4-17H,3,18H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyQBDOFPUGNAUKHL-UHFFFAOYSA-N
XLogP5.31
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 78890376
1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide
CID 78874152
1-benzyl-5-ethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 78872958
1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 78874158
1-benzyl-5-ethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 78873630
1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78889307
N-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78873610
1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78873511
1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide
CID 78873269
1-benzyl-N'-[2-(3,4-dimethylphenoxy)acetyl]-5-ethylpyrazole-4-carbohydrazide
CID 78872517
1-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78873492
N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 87001470

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide (CID 78887495) is 1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide is CCc1c(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is QBDOFPUGNAUKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-3-25-23(17-28-31(25)18-20-10-6-4-7-11-20)27(33)30-24-16-21(15-14-19(24)2)26(32)29-22-12-8-5-9-13-22/h4-17H,3,18H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of 1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide?
1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 78887495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).