N'-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]-1H-indole-3-carbohydrazide

C21H17Cl2N5O2 — CID 29355154

IUPACN'-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]-1H-indole-3-carbohydrazide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H17Cl2N5O2/c1-12-18(19(23)28(27-12)11-13-6-2-4-8-16(13)22)21(30)26-25-20(29)15-10-24-17-9-5-3-7-14(15)17/h2-10,24H,11H2,1H3,(H,25,29)(H,26,30)
InChIKeyJIWUGUZPHQURHE-UHFFFAOYSA-N
MW442.31 g/mol
LogP4.10
Rot. Bonds4

About N'-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]-1H-indole-3-carbohydrazide

N'-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]-1H-indole-3-carbohydrazide (PubChem CID 29355154) has the molecular formula C21H17Cl2N5O2 and a molecular weight of 442.31 g/mol. Its IUPAC name is N'-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]-1H-indole-3-carbohydrazide
PubChem CID29355154
Molecular FormulaC21H17Cl2N5O2
Molecular Weight442.31 g/mol
Exact Mass441.08
IUPAC NameN'-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]-1H-indole-3-carbohydrazide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H17Cl2N5O2/c1-12-18(19(23)28(27-12)11-13-6-2-4-8-16(13)22)21(30)26-25-20(29)15-10-24-17-9-5-3-7-14(15)17/h2-10,24H,11H2,1H3,(H,25,29)(H,26,30)
InChIKeyJIWUGUZPHQURHE-UHFFFAOYSA-N
XLogP4.10
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.31
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide
CID 78774668
5-chloro-1-[(2-chlorophenyl)methyl]-N'-(4-ethoxybenzoyl)-3-methylpyrazole-4-carbohydrazide
CID 35768956
5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide
CID 29200902
5-chloro-1-[(2-chlorophenyl)methyl]-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-3-methylpyrazole-4-carbohydrazide
CID 31714742
5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-[(dimethylamino)methyl]phenyl]-3-methylpyrazole-4-carboxamide
CID 38438701
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
CID 29213459
5-chloro-1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide
CID 29200021
1-[(2-chlorophenyl)methyl]-N'-(2,5-dimethylfuran-3-carbonyl)-3,5-dimethylpyrazole-4-carbohydrazide
CID 7600649
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide
CID 35595678
5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777250
5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(4-hydroxyphenyl)propyl]-3-methylpyrazole-4-carboxamide
CID 86973065
N'-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]-1H-indole-3-carbohydrazide
CID 27692545

Frequently Asked Questions

What is the IUPAC name of N'-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]-1H-indole-3-carbohydrazide?
The IUPAC name of N'-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]-1H-indole-3-carbohydrazide (CID 29355154) is N'-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]-1H-indole-3-carbohydrazide is Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N'-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]-1H-indole-3-carbohydrazide?
The InChIKey is JIWUGUZPHQURHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N5O2/c1-12-18(19(23)28(27-12)11-13-6-2-4-8-16(13)22)21(30)26-25-20(29)15-10-24-17-9-5-3-7-14(15)17/h2-10,24H,11H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N'-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]-1H-indole-3-carbohydrazide?
N'-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]-1H-indole-3-carbohydrazide has a molecular weight of 442.31 g/mol, XLogP of 4.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]-1H-indole-3-carbohydrazide is sourced from PubChem (CID 29355154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).