1-(3-chlorophenyl)-5-propan-2-yl-N'-[4-(tetrazol-1-yl)benzoyl]pyrazole-4-carbohydrazide

C21H19ClN8O2 — CID 46587147

IUPAC1-(3-chlorophenyl)-5-propan-2-yl-N'-[4-(tetrazol-1-yl)benzoyl]pyrazole-4-carbohydrazide
SMILESCC(C)c1c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C21H19ClN8O2/c1-13(2)19-18(11-24-30(19)17-5-3-4-15(22)10-17)21(32)26-25-20(31)14-6-8-16(9-7-14)29-12-23-27-28-29/h3-13H,1-2H3,(H,25,31)(H,26,32)
InChIKeyLLQPEFNMUCJEKG-UHFFFAOYSA-N
MW450.89 g/mol
LogP2.70
Rot. Bonds5

About 1-(3-chlorophenyl)-5-propan-2-yl-N'-[4-(tetrazol-1-yl)benzoyl]pyrazole-4-carbohydrazide

1-(3-chlorophenyl)-5-propan-2-yl-N'-[4-(tetrazol-1-yl)benzoyl]pyrazole-4-carbohydrazide (PubChem CID 46587147) has the molecular formula C21H19ClN8O2 and a molecular weight of 450.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-propan-2-yl-N'-[4-(tetrazol-1-yl)benzoyl]pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-propan-2-yl-N'-[4-(tetrazol-1-yl)benzoyl]pyrazole-4-carbohydrazide
PubChem CID46587147
Molecular FormulaC21H19ClN8O2
Molecular Weight450.89 g/mol
Exact Mass450.13
IUPAC Name1-(3-chlorophenyl)-5-propan-2-yl-N'-[4-(tetrazol-1-yl)benzoyl]pyrazole-4-carbohydrazide
SMILESCC(C)c1c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C21H19ClN8O2/c1-13(2)19-18(11-24-30(19)17-5-3-4-15(22)10-17)21(32)26-25-20(31)14-6-8-16(9-7-14)29-12-23-27-28-29/h3-13H,1-2H3,(H,25,31)(H,26,32)
InChIKeyLLQPEFNMUCJEKG-UHFFFAOYSA-N
XLogP2.70
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.89
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
CID 43058699
1-(3-chlorophenyl)-5-propan-2-yl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78851760
1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 30838865
1-(3-chlorophenyl)-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 120832789
N-(3-benzamido-2-methylphenyl)-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55898914
methyl 2-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]acetate
CID 52570392
1-(3-chlorophenyl)-5-propan-2-yl-N-pyridin-2-ylpyrazole-4-carboxamide
CID 30889196
2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30878039
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31862135
1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55576681
1-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 112816075
1-(3-chlorophenyl)-5-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
CID 55688332

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-propan-2-yl-N'-[4-(tetrazol-1-yl)benzoyl]pyrazole-4-carbohydrazide?
The IUPAC name of 1-(3-chlorophenyl)-5-propan-2-yl-N'-[4-(tetrazol-1-yl)benzoyl]pyrazole-4-carbohydrazide (CID 46587147) is 1-(3-chlorophenyl)-5-propan-2-yl-N'-[4-(tetrazol-1-yl)benzoyl]pyrazole-4-carbohydrazide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-propan-2-yl-N'-[4-(tetrazol-1-yl)benzoyl]pyrazole-4-carbohydrazide?
The canonical SMILES for 1-(3-chlorophenyl)-5-propan-2-yl-N'-[4-(tetrazol-1-yl)benzoyl]pyrazole-4-carbohydrazide is CC(C)c1c(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-propan-2-yl-N'-[4-(tetrazol-1-yl)benzoyl]pyrazole-4-carbohydrazide?
The InChIKey is LLQPEFNMUCJEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN8O2/c1-13(2)19-18(11-24-30(19)17-5-3-4-15(22)10-17)21(32)26-25-20(31)14-6-8-16(9-7-14)29-12-23-27-28-29/h3-13H,1-2H3,(H,25,31)(H,26,32).
What are the key properties of 1-(3-chlorophenyl)-5-propan-2-yl-N'-[4-(tetrazol-1-yl)benzoyl]pyrazole-4-carbohydrazide?
1-(3-chlorophenyl)-5-propan-2-yl-N'-[4-(tetrazol-1-yl)benzoyl]pyrazole-4-carbohydrazide has a molecular weight of 450.89 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-propan-2-yl-N'-[4-(tetrazol-1-yl)benzoyl]pyrazole-4-carbohydrazide is sourced from PubChem (CID 46587147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).