1-benzyl-3-tert-butyl-N'-(2-methoxyphenyl)pyrazole-5-carbohydrazide

C22H26N4O2 — CID 2812502

IUPAC1-benzyl-3-tert-butyl-N'-(2-methoxyphenyl)pyrazole-5-carbohydrazide
SMILESCOc1ccccc1NNC(=O)c1cc(C(C)(C)C)nn1Cc1ccccc1
InChIInChI=1S/C22H26N4O2/c1-22(2,3)20-14-18(26(25-20)15-16-10-6-5-7-11-16)21(27)24-23-17-12-8-9-13-19(17)28-4/h5-14,23H,15H2,1-4H3,(H,24,27)
InChIKeyPCFGRIGJIKDULP-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.99
Rot. Bonds6

About 1-benzyl-3-tert-butyl-N'-(2-methoxyphenyl)pyrazole-5-carbohydrazide

1-benzyl-3-tert-butyl-N'-(2-methoxyphenyl)pyrazole-5-carbohydrazide (PubChem CID 2812502) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-benzyl-3-tert-butyl-N'-(2-methoxyphenyl)pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-3-tert-butyl-N'-(2-methoxyphenyl)pyrazole-5-carbohydrazide
PubChem CID2812502
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-benzyl-3-tert-butyl-N'-(2-methoxyphenyl)pyrazole-5-carbohydrazide
SMILESCOc1ccccc1NNC(=O)c1cc(C(C)(C)C)nn1Cc1ccccc1
InChIInChI=1S/C22H26N4O2/c1-22(2,3)20-14-18(26(25-20)15-16-10-6-5-7-11-16)21(27)24-23-17-12-8-9-13-19(17)28-4/h5-14,23H,15H2,1-4H3,(H,24,27)
InChIKeyPCFGRIGJIKDULP-UHFFFAOYSA-N
XLogP3.99
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-pyrazole-3-carboxamide
CID 118557110
5-benzyl-1-methyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-3-carboxamide
CID 137635629
N'-(2-methoxyphenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carbohydrazide
CID 2812503
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
1-[(2,5-Dimethylpyrazole-3-carbonyl)amino]-3-(2-methoxyphenyl)thiourea
CID 842640
Cfm-1571
CID 9844347
5-(4-Methoxy-phenyl)-2-phenyl-2H-pyrazole-3-carboxylic acid hydrazide
CID 2387114
1-benzyl-3-(tert-butyl)-N'-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carbohydrazide
CID 2812565
(4-(2-methoxyphenyl)piperazin-1-yl)(3-phenyl-1H-pyrazol-5-yl)methanone
CID 8867347
1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 11825950
(4-(2-methoxyphenyl)piperazin-1-yl)(3-p-tolyl-1H-pyrazol-5-yl)methanone
CID 20864936
1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]-4-(2-methoxyphenyl)piperazine
CID 20906556

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-tert-butyl-N'-(2-methoxyphenyl)pyrazole-5-carbohydrazide?
The IUPAC name of 1-benzyl-3-tert-butyl-N'-(2-methoxyphenyl)pyrazole-5-carbohydrazide (CID 2812502) is 1-benzyl-3-tert-butyl-N'-(2-methoxyphenyl)pyrazole-5-carbohydrazide.
What is the SMILES notation for 1-benzyl-3-tert-butyl-N'-(2-methoxyphenyl)pyrazole-5-carbohydrazide?
The canonical SMILES for 1-benzyl-3-tert-butyl-N'-(2-methoxyphenyl)pyrazole-5-carbohydrazide is COc1ccccc1NNC(=O)c1cc(C(C)(C)C)nn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-tert-butyl-N'-(2-methoxyphenyl)pyrazole-5-carbohydrazide?
The InChIKey is PCFGRIGJIKDULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-22(2,3)20-14-18(26(25-20)15-16-10-6-5-7-11-16)21(27)24-23-17-12-8-9-13-19(17)28-4/h5-14,23H,15H2,1-4H3,(H,24,27).
What are the key properties of 1-benzyl-3-tert-butyl-N'-(2-methoxyphenyl)pyrazole-5-carbohydrazide?
1-benzyl-3-tert-butyl-N'-(2-methoxyphenyl)pyrazole-5-carbohydrazide has a molecular weight of 378.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-tert-butyl-N'-(2-methoxyphenyl)pyrazole-5-carbohydrazide is sourced from PubChem (CID 2812502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).