N'-(3-indol-1-ylpropanoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide

C22H21N5O3 — CID 78816707

IUPACN'-(3-indol-1-ylpropanoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)CCn3ccc4ccccc43)[nH]n2)cc1
InChIInChI=1S/C22H21N5O3/c1-30-17-8-6-15(7-9-17)18-14-19(24-23-18)22(29)26-25-21(28)11-13-27-12-10-16-4-2-3-5-20(16)27/h2-10,12,14H,11,13H2,1H3,(H,23,24)(H,25,28)(H,26,29)
InChIKeyCLFYGDWBMQKBGX-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.89
Rot. Bonds6

About N'-(3-indol-1-ylpropanoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide

N'-(3-indol-1-ylpropanoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide (PubChem CID 78816707) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N'-(3-indol-1-ylpropanoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(3-indol-1-ylpropanoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
PubChem CID78816707
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC NameN'-(3-indol-1-ylpropanoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)CCn3ccc4ccccc43)[nH]n2)cc1
InChIInChI=1S/C22H21N5O3/c1-30-17-8-6-15(7-9-17)18-14-19(24-23-18)22(29)26-25-21(28)11-13-27-12-10-16-4-2-3-5-20(16)27/h2-10,12,14H,11,13H2,1H3,(H,23,24)(H,25,28)(H,26,29)
InChIKeyCLFYGDWBMQKBGX-UHFFFAOYSA-N
XLogP2.89
TPSA101.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-phenylpyrazole-3-carbohydrazide
CID 78868431
N'-[2-(3-fluorophenyl)acetyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78803289
3-(4-methoxyphenyl)-N'-(4-phenylbut-1-en-2-yl)-1H-pyrazole-5-carbohydrazide
CID 2084076
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpyrazole-3-carbohydrazide
CID 78904333
4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide
CID 9151418
N'-(2-cyclopentylacetyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78803224
N'-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78803284
N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24541013
N'-(2-naphthalen-2-yloxyacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 40591056
3-(4-methylphenyl)-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-1H-pyrazole-5-carbohydrazide
CID 71891472
3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19508977
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide
CID 78901393

Frequently Asked Questions

What is the IUPAC name of N'-(3-indol-1-ylpropanoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-(3-indol-1-ylpropanoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide (CID 78816707) is N'-(3-indol-1-ylpropanoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(3-indol-1-ylpropanoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-(3-indol-1-ylpropanoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide is COc1ccc(-c2cc(C(=O)NNC(=O)CCn3ccc4ccccc43)[nH]n2)cc1.
What is the InChIKey of N'-(3-indol-1-ylpropanoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The InChIKey is CLFYGDWBMQKBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-30-17-8-6-15(7-9-17)18-14-19(24-23-18)22(29)26-25-21(28)11-13-27-12-10-16-4-2-3-5-20(16)27/h2-10,12,14H,11,13H2,1H3,(H,23,24)(H,25,28)(H,26,29).
What are the key properties of N'-(3-indol-1-ylpropanoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
N'-(3-indol-1-ylpropanoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide has a molecular weight of 403.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-indol-1-ylpropanoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 78816707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).