3-(4-methoxyphenyl)-N'-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1H-pyrazole-5-carbohydrazide

C22H22N4O3 — CID 78847713

IUPAC3-(4-methoxyphenyl)-N'-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1H-pyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)C3CCCc4ccccc43)[nH]n2)cc1
InChIInChI=1S/C22H22N4O3/c1-29-16-11-9-15(10-12-16)19-13-20(24-23-19)22(28)26-25-21(27)18-8-4-6-14-5-2-3-7-17(14)18/h2-3,5,7,9-13,18H,4,6,8H2,1H3,(H,23,24)(H,25,27)(H,26,28)
InChIKeyFDVJDAQRAGZJTH-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.97
Rot. Bonds4

About 3-(4-methoxyphenyl)-N'-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1H-pyrazole-5-carbohydrazide

3-(4-methoxyphenyl)-N'-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1H-pyrazole-5-carbohydrazide (PubChem CID 78847713) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N'-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N'-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1H-pyrazole-5-carbohydrazide
PubChem CID78847713
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name3-(4-methoxyphenyl)-N'-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1H-pyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)C3CCCc4ccccc43)[nH]n2)cc1
InChIInChI=1S/C22H22N4O3/c1-29-16-11-9-15(10-12-16)19-13-20(24-23-19)22(28)26-25-21(27)18-8-4-6-14-5-2-3-7-17(14)18/h2-3,5,7,9-13,18H,4,6,8H2,1H3,(H,23,24)(H,25,27)(H,26,28)
InChIKeyFDVJDAQRAGZJTH-UHFFFAOYSA-N
XLogP2.97
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-methoxyphenyl)-N'-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1H-pyrazole-5-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N'-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-(4-methoxyphenyl)-N'-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1H-pyrazole-5-carbohydrazide (CID 78847713) is 3-(4-methoxyphenyl)-N'-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N'-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-(4-methoxyphenyl)-N'-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1H-pyrazole-5-carbohydrazide is COc1ccc(-c2cc(C(=O)NNC(=O)C3CCCc4ccccc43)[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N'-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1H-pyrazole-5-carbohydrazide?
The InChIKey is FDVJDAQRAGZJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-29-16-11-9-15(10-12-16)19-13-20(24-23-19)22(28)26-25-21(27)18-8-4-6-14-5-2-3-7-17(14)18/h2-3,5,7,9-13,18H,4,6,8H2,1H3,(H,23,24)(H,25,27)(H,26,28).
What are the key properties of 3-(4-methoxyphenyl)-N'-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1H-pyrazole-5-carbohydrazide?
3-(4-methoxyphenyl)-N'-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1H-pyrazole-5-carbohydrazide has a molecular weight of 390.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N'-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 78847713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).