1-[(4-fluorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide

C22H22FN5O — CID 56649530

IUPAC1-[(4-fluorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide
SMILESCCCn1cc(-c2cc(C(=O)NN)n(Cc3ccc(F)cc3)n2)c2ccccc21
InChIInChI=1S/C22H22FN5O/c1-2-11-27-14-18(17-5-3-4-6-20(17)27)19-12-21(22(29)25-24)28(26-19)13-15-7-9-16(23)10-8-15/h3-10,12,14H,2,11,13,24H2,1H3,(H,25,29)
InChIKeyLUQVMKHJZCTKDQ-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.71
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide

1-[(4-fluorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide (PubChem CID 56649530) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide
PubChem CID56649530
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide
SMILESCCCn1cc(-c2cc(C(=O)NN)n(Cc3ccc(F)cc3)n2)c2ccccc21
InChIInChI=1S/C22H22FN5O/c1-2-11-27-14-18(17-5-3-4-6-20(17)27)19-12-21(22(29)25-24)28(26-19)13-15-7-9-16(23)10-8-15/h3-10,12,14H,2,11,13,24H2,1H3,(H,25,29)
InChIKeyLUQVMKHJZCTKDQ-UHFFFAOYSA-N
XLogP3.71
TPSA77.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide (CID 56649530) is 1-[(4-fluorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide is CCCn1cc(-c2cc(C(=O)NN)n(Cc3ccc(F)cc3)n2)c2ccccc21.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide?
The InChIKey is LUQVMKHJZCTKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c1-2-11-27-14-18(17-5-3-4-6-20(17)27)19-12-21(22(29)25-24)28(26-19)13-15-7-9-16(23)10-8-15/h3-10,12,14H,2,11,13,24H2,1H3,(H,25,29).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide?
1-[(4-fluorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide has a molecular weight of 391.45 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide is sourced from PubChem (CID 56649530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).